A0A3Q0KRJ8_SCHMA Loading...

Tektin

AlphaFold DB , UniProt , Accession A0A3Q0KRJ8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 470 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.1	Very low	37.5	Very low	232 Å²	232	128.6 Å²	128.6	100%	1.143	73%	0.731	S	S	*	*				0	79.5	0	-71.6	178.7	173.6	0	0	106
2	V	34.9	Very low	37.2	Very low	135 Å²	135	130.8 Å²	130.8	82%	0.818	74%	0.736	S	S	*	*				72.7	120.7	79.2	-175.6	0	0	0	0	105.5
3	S	35.6	Very low	36.7	Very low	94 Å²	94	131.1 Å²	131.1	66%	0.657	74%	0.743	S	S	*	*				-170.8	143.1	70.4	79.7	0	0	0	0	107.1
4	S	35.9	Very low	36.2	Very low	73 Å²	73	138.7 Å²	138.7	51%	0.51	75%	0.754	S	S	.	*				60.8	121.5	86.4	-142.2	0	0	0	0	108.4	Y6	S4-Y6 WeakPolarHBondContact OG-CD2 3.23Å; S4-Y6 WeakPolarHBondContact OG-CE2 3.15Å
5	S	41.5	Very low	35.9	Very low	93 Å²	93	137.9 Å²	137.9	65%	0.65	76%	0.762	S	S	*	*				179.3	130.2	58.5	32.1	0	0	0	0	104.9
6	Y	40.2	Very low	35.6	Very low	190 Å²	190	142.6 Å²	142.6	75%	0.745	77%	0.773	S	S	*	*				61.4	128.8	100.5	-59.1	-56.5	0	0	0	111.6	S4	S4-Y6 WeakPolarHBondContact OG-CD2 3.23Å; S4-Y6 WeakPolarHBondContact OG-CE2 3.15Å
7	F	34.3	Very low	35.3	Very low	178 Å²	178	141 Å²	141	78%	0.781	78%	0.775	S	S	*	*			cis	-167.5	155.1	22.8	-142.6	-110	0	0	0	108.6
8	T	39.2	Very low	35.2	Very low	101 Å²	101	139.5 Å²	139.5	62%	0.62	78%	0.776	S	S	*	*			trans	-47.7	168.1	158.6	48.3	0	0	0	0	113.9
9	P	43	Very low	34.8	Very low	117 Å²	117	141.7 Å²	141.7	76%	0.76	78%	0.782	S	S	*	*			cis	-152.4	167.9	37.2	38.3	-14.3	0	0	0	121.1
10	S	35.9	Very low	34.6	Very low	100 Å²	100	142.8 Å²	142.8	70%	0.699	79%	0.787	S	S	*	*			trans	-21.7	-178.1	146.7	-35.1	0	0	0	0	118.8
11	P	41.3	Very low	34.2	Very low	102 Å²	102	144.2 Å²	144.2	66%	0.662	79%	0.791	S	S	*	*			cis	-151.3	171.9	11.4	26.4	1.8	0	0	0	120.4
12	I	33.9	Very low	34.1	Very low	154 Å²	154	140.6 Å²	140.6	79%	0.79	78%	0.776	S	S	*	*			trans	65.8	127.1	135.9	-66.8	162.6	0	0	0	117.9
13	V	30.9	Very low	33.7	Very low	135 Å²	135	139.6 Å²	139.6	82%	0.818	77%	0.77	S	S	*	*				-156.5	147.5	57.9	178.4	0	0	0	0	111.6
14	R	28.6	Very low	33.4	Very low	238 Å²	238	141.3 Å²	141.3	90%	0.898	78%	0.782	S	S	*	*			trans	-77.5	147	169.2	-73	175.3	167.2	-177.8	-3.8	113.5
15	S	31.8	Very low	33.1	Very low	126 Å²	126	142.4 Å²	142.4	88%	0.881	79%	0.787	S	S	*	*			trans	-156.1	158	141.7	61.6	0	0	0	0	112.2
16	K	30.9	Very low	32.4	Very low	214 Å²	214	144.3 Å²	144.3	93%	0.93	79%	0.791	S	S	*	*			trans	-85.1	153.1	-159.3	-76.7	176.2	172.5	177.9	0	114.3
17	S	31.8	Very low	32	Very low	115 Å²	115	143 Å²	143	80%	0.804	79%	0.789	S	S	*	*			trans	-78.6	136.9	-178.8	132.8	0	0	0	0	113.7
18	S	32	Very low	31.9	Very low	114 Å²	114	141.1 Å²	141.1	80%	0.797	79%	0.787	S	S	*	*			trans	-156.5	136.9	158.5	-61.6	0	0	0	0	108.6
19	M	28.5	Very low	31.5	Very low	181 Å²	181	143.9 Å²	143.9	89%	0.892	80%	0.798	S	S	*	*			trans	25.8	111.2	165.8	-59.3	-147.7	-154.2	0	0	119.6
20	N	30.3	Very low	31	Very low	164 Å²	164	147.7 Å²	147.7	88%	0.877	81%	0.805	S	S	*	*				-162.1	135.9	128.2	-97.1	-28.5	0	0	0	110.8	L22	N20-L22 PolarHBondContact O-N 2.83Å
21	I	26.1	Very low	30.9	Very low	172 Å²	172	151.4 Å²	151.4	88%	0.882	81%	0.809	S	S	*	*			trans	-76.4	114.8	-177	-67.5	161.9	0	0	0	107.9
22	L	29.3	Very low	30.7	Very low	157 Å²	157	152.6 Å²	152.6	82%	0.822	82%	0.819	S	S	*	*			trans	-105.8	111.9	173.6	-102.2	152.3	0	0	0	109.6	N20	N20-L22 PolarHBondContact O-N 2.83Å
23	T	27.3	Very low	30.6	Very low	113 Å²	113	156.4 Å²	156.4	69%	0.693	82%	0.824	S	S	*	*			trans	-35.6	130.7	154.9	46.2	0	0	0	0	111.1	P25	T23-P25 WeakPolarHBondContact O-CD 3.33Å
24	S	28.8	Very low	30.7	Very low	131 Å²	131	152.9 Å²	152.9	92%	0.916	82%	0.815	S	S	*	*			trans	-102.8	91.9	177.5	-158.3	0	0	0	0	109.5
25	P	28.8	Very low	31	Very low	95 Å²	95	150 Å²	150	62%	0.617	82%	0.816	S	S	*	*			trans	-102.9	141.6	158.2	35.5	-27.3	0	0	0	109.4	T23	T23-P25 WeakPolarHBondContact O-CD 3.33Å
26	N	28.2	Very low	31.3	Very low	134 Å²	134	149.2 Å²	149.2	72%	0.717	81%	0.806	S	S	*	*			trans	77.8	111.6	153	-89.7	-31.8	0	0	0	118.4
27	K	30.8	Very low	31.5	Very low	163 Å²	163	146.8 Å²	146.8	71%	0.709	80%	0.798	S	S	*	*				79.6	110.3	125.3	-73.6	175.2	-178.5	-176.7	0	115.7
28	N	32	Very low	31.6	Very low	137 Å²	137	148.7 Å²	148.7	73%	0.733	80%	0.798	S	S	*	*			trans	72.8	80.5	139.4	-54	-7.8	0	0	0	113.4
29	N	32.2	Very low	31.6	Very low	160 Å²	160	151.7 Å²	151.7	86%	0.856	79%	0.792	S	S	*	*			trans	-170.6	50.1	142.3	-94.2	-22.6	0	0	0	112	K31	N29-K31 PolarHBondContact O-N 2.99Å
30	E	31.7	Very low	32.2	Very low	196 Å²	196	149 Å²	149	92%	0.916	79%	0.788	S	S	*	*	S	Bend	trans	-80.7	93.8	142.1	-78.8	-160.1	153.2	0	0	107.2	S32	E30-S32 PolarHBondContact O-N 2.88Å
31	K	33.6	Very low	32.8	Very low	178 Å²	178	145.6 Å²	145.6	77%	0.774	78%	0.776	S	S	*	*			trans	8.4	110.6	145.8	-63.9	173.3	179.8	175.6	0	112.1	N29 R33	N29-K31 PolarHBondContact O-N 2.99Å; K31-R33 PolarHBondContact O-N 2.84Å
32	S	36.5	Very low	33.4	Very low	127 Å²	127	145.4 Å²	145.4	89%	0.888	78%	0.776	S	S	*	*			trans	-52.7	82.6	160.9	-54.8	0	0	0	0	109	E30 G34	E30-S32 PolarHBondContact O-N 2.88Å; S32-G34 PolarHBondContact O-N 2.84Å
33	R	31.6	Very low	34	Very low	235 Å²	235	142.6 Å²	142.6	89%	0.887	77%	0.766	S	S	*	*			trans	-62.5	108.5	164.5	-90	-177.1	168.4	167.9	-2.3	104.4	K31 L35	K31-R33 PolarHBondContact O-N 2.84Å; R33-L35 PolarHBondContact O-N 3.06Å
34	G	35	Very low	34.6	Very low	60 Å²	60	145.9 Å²	145.9	62%	0.619	77%	0.773	S	S	*	*			trans	-53.8	128.9	-174.5	0	0	0	0	0	112	S32	S32-G34 PolarHBondContact O-N 2.84Å
35	L	33.2	Very low	35.4	Very low	178 Å²	178	144.5 Å²	144.5	93%	0.932	76%	0.755	S	S	*	*			trans	-106.5	60.6	147	-77.2	155.7	0	0	0	106.7	R33 Q37	R33-L35 PolarHBondContact O-N 3.06Å; L35-Q37 PolarHBondContact O-N 2.96Å
36	T	39.2	Very low	36.4	Very low	110 Å²	110	143.2 Å²	143.2	68%	0.675	75%	0.748	S	S	*	*			trans	-74.4	82.7	165.2	43.8	0	0	0	0	107.2	I38	T36-I38 PolarHBondContact O-N 2.74Å
37	Q	34.3	Very low	37.5	Very low	162 Å²	162	142 Å²	142	76%	0.757	73%	0.734	S	S	*	*			trans	-64.1	116.7	165.7	-139.3	172.3	12	0	0	106.6	L35 W39	L35-Q37 PolarHBondContact O-N 2.96Å; Q37-W39 PolarHBondContact O-N 2.96Å
38	I	33.7	Very low	38.7	Very low	156 Å²	156	142.1 Å²	142.1	80%	0.8	73%	0.731	S	S	*	*			trans	-66.5	103.9	-174.4	-60.7	166.9	0	0	0	107.6	T36	T36-I38 PolarHBondContact O-N 2.74Å
39	W	33.1	Very low	39.6	Very low	177 Å²	177	141.1 Å²	141.1	67%	0.67	72%	0.722	S	S	*	*			trans	-76.6	152.4	171.2	-74.7	87.1	0	0	0	109.9	Q37 C41	Q37-W39 PolarHBondContact O-N 2.96Å; W39-C41 PolarHBondContact O-N 3.25Å
40	P	41.8	Very low	40.5	Very low	124 Å²	124	137.9 Å²	137.9	81%	0.805	71%	0.711	S	S	*	*	S	Bend	trans	-67.1	3.5	-168.9	-16.7	30.3	0	0	0	115.6
41	C	42.7	Very low	41.4	Very low	93 Å²	93	132.9 Å²	132.9	63%	0.628	69%	0.69	S	S	*	*	S	Bend	trans	-128.5	117.3	176.9	-53.7	0	0	0	0	106.2	W39 V43	W39-C41 PolarHBondContact O-N 3.25Å; C41-V43 PolarHBondContact O-N 2.92Å
42	N	38.7	Very low	42.2	Very low	167 Å²	167	131.8 Å²	131.8	89%	0.893	69%	0.688	S	S	*	*			trans	-60.5	39.1	-177.6	-83.3	-25.8	0	0	0	115.4
43	V	41.7	Very low	43	Very low	98 Å²	98	133.4 Å²	133.4	59%	0.594	68%	0.681	S	S	*	*			trans	-106.3	105.1	177.8	-168.8	0	0	0	0	108.2	C41 L45	C41-V43 PolarHBondContact O-N 2.92Å; V43-L45 HydrophobicContact CB-CG 4.48Å; V43-L45 HydrophobicContact CG1-CD2 3.64Å; V43-L45 HydrophobicContact CG1-CG 3.7Å; V43-L45 PolarHBondContact O-N 3.43Å
44	Q	38.8	Very low	44.1	Very low	183 Å²	183	123.7 Å²	123.7	86%	0.855	65%	0.649	S	S	*	*			trans	-71.4	81.3	165.7	-71.8	-176	-20.7	0	0	108.8	S46	Q44-S46 PolarHBondContact O-N 2.81Å
45	L	46.4	Very low	45.2	Very low	102 Å²	102	125.7 Å²	125.7	53%	0.534	65%	0.653	S	S	.	*			trans	-73.5	124.2	167.6	-64.1	172.1	0	0	0	107.6	V43	V43-L45 HydrophobicContact CB-CG 4.48Å; V43-L45 HydrophobicContact CG1-CD2 3.64Å; V43-L45 HydrophobicContact CG1-CG 3.7Å; V43-L45 PolarHBondContact O-N 3.43Å
46	S	49.9	Very low	46.7	Very low	67 Å²	67	120.2 Å²	120.2	47%	0.469	63%	0.625	S	S	.	*			trans	-64.8	143	170.7	87.1	0	0	0	0	108.8	Q44 Y48 Q49	Q44-S46 PolarHBondContact O-N 2.81Å; S46-Y48 PolarHBondContact O-N 2.7Å; S46-Y48 PolarHBondContact OG-O 3.03Å; S46-Q49 PolarHBondContact O-N 3.19Å; S46-Q49 VanDerWaalsContact O-N 3.11Å; S46-Q49 PolarHBondContact OG-N 2.83Å
47	R	51.7	Low	47.5	Very low	109 Å²	109	121.3 Å²	121.3	41%	0.411	62%	0.618	S	S	.	*	T	Hydrogen-bonded Turn	trans	-46.8	-29.3	-178.7	-174.2	-178	-88.6	-138.2	3.8	113.6	N84 E88 E91	R47-N84 PolarHBondContact O-ND2 3.36Å; R47-E88 WeakPolarHBondContact CD-OE1 3.28Å; R47-E88 WeakPolarHBondContact CG-OE1 3.33Å; R47-E88 IonicContact CZ-OE1 3.42Å; R47-E88 IonicContact NE-OE1 2.63Å; R47-E88 PolarHBondContact NE-OE1 3.39Å; R47-E88 IonicContact NH1-OE1 3.89Å; R47-E88 PolarHBondContact NH1-OE1 2.87Å; R47-E88 IonicContact NH1-OE2 3.18Å; R47-E91 IonicContact CZ-OE2 3.14Å; R47-E91 IonicContact NH1-OE2 2.76Å; R47-E91 PolarHBondContact NH1-OE2 3.49Å; R47-E91 IonicContact NH2-OE1 2.8Å; R47-E91 PolarHBondContact NH2-OE1 2.89Å; R47-E91 VanDerWaalsContact NH2-OE1 3.14Å; R47-E91 IonicContact NH2-OE2 3.95Å; R47-E91 PolarHBondContact NH2-OE2 2.7Å; R47-E91 VanDerWaalsContact NH2-OE2 3.16Å
48	Y	55.3	Low	48.9	Very low	166 Å²	166	118.8 Å²	118.8	65%	0.651	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131	71.3	173.1	-53.2	-81.6	0	0	0	110.2	S46 S50	S46-Y48 PolarHBondContact O-N 2.7Å; S46-Y48 PolarHBondContact OG-O 3.03Å; Y48-S50 PolarHBondContact O-N 2.55Å
49	Q	51.4	Low	50.6	Low	116 Å²	116	112.2 Å²	112.2	54%	0.542	57%	0.568	S	S	.	*			trans	-76.6	103.9	156.3	-94.6	-180	-14.8	0	0	108.5	S46 L51	S46-Q49 PolarHBondContact O-N 3.19Å; S46-Q49 VanDerWaalsContact O-N 3.11Å; S46-Q49 PolarHBondContact OG-N 2.83Å; Q49-L51 PolarHBondContact O-N 2.73Å
50	S	50.7	Low	52.3	Low	91 Å²	91	112.3 Å²	112.3	64%	0.636	57%	0.57	S	S	*	*			trans	-55.9	118.4	152.9	-50.6	0	0	0	0	107	Y48 E52	Y48-S50 PolarHBondContact O-N 2.55Å; S50-E52 PolarHBondContact O-N 2.99Å
51	L	51.4	Low	53.2	Low	91 Å²	91	111.1 Å²	111.1	48%	0.476	57%	0.571	S	S	.	*			trans	-74	64.7	167.4	-73.9	155	0	0	0	109.4	Q49 V77	Q49-L51 PolarHBondContact O-N 2.73Å; L51-V77 HydrophobicContact CD1-CB 4Å; L51-V77 HydrophobicContact CD1-CG1 3.31Å; L51-V77 HydrophobicContact CD1-CG2 3.4Å; L51-V77 VanDerWaalsContact CD1-CG2 3.4Å
52	E	48.9	Very low	54.5	Low	156 Å²	156	115 Å²	115	73%	0.729	57%	0.572	S	S	*	*			trans	-83.2	125.4	150.6	-66.3	179.2	175.3	0	0	105.8	S50	S50-E52 PolarHBondContact O-N 2.99Å
53	H	54.6	Low	55.7	Low	160 Å²	160	115.2 Å²	115.2	74%	0.741	57%	0.565	S	S	*	*			cis	-137.2	133.8	-11	-78.3	-77.1	0	0	0	104.1
54	P	54.4	Low	56.3	Low	32 Å²	32	112.8 Å²	112.8	21%	0.208	55%	0.552	C	S	.	*			trans	-63.2	156	156.1	31.4	-34.8	0	0	0	109.4	R68 H69	P54-R68 HydrophobicContact CB-CB 3.3Å; P54-R68 VanDerWaalsContact CB-CD 3.47Å; P54-R68 HydrophobicContact CB-CG 3.33Å; P54-R68 WeakPolarHBondContact CB-O 3.13Å; P54-R68 HydrophobicContact CG-CB 3.64Å; P54-R68 VanDerWaalsContact CG-CD 3.42Å; P54-R68 HydrophobicContact CG-CG 3.81Å; P54-R68 WeakPolarHBondContact O-CD 3.41Å; P54-R68 PolarHBondContact O-NE 2.96Å; P54-R68 PolarHBondContact O-NH1 3.35Å; P54-H69 WeakPolarHBondContact CB-CE1 3.06Å; P54-H69 VanDerWaalsContact CB-NE2 3.29Å; P54-H69 WeakPolarHBondContact CB-NE2 3.46Å; P54-H69 WeakPolarHBondContact CD-NE2 3.33Å; P54-H69 VanDerWaalsContact CG-CD2 3.44Å; P54-H69 WeakPolarHBondContact CG-CD2 3.22Å; P54-H69 WeakPolarHBondContact CG-NE2 3.29Å
55	S	57.6	Low	57.4	Low	101 Å²	101	108.2 Å²	108.2	71%	0.706	53%	0.532	S	S	*	.			trans	-105.7	114.1	172	139.8	0	0	0	0	112.3	R68	S55-R68 VanDerWaalsContact C-CD 3.49Å; S55-R68 VanDerWaalsContact N-CG 3.33Å; S55-R68 WeakPolarHBondContact O-CG 3.36Å
56	N	63.6	Low	58.4	Low	64 Å²	64	107.7 Å²	107.7	34%	0.342	52%	0.524	S	S	.	.			trans	-98.3	135	-169.9	-66.9	-40.1	0	0	0	99.8	I65 P67 R68	N56-I65 HydrophobicContact CB-CG2 3.18Å; N56-P67 WeakPolarHBondContact OD1-CA 3.19Å; N56-R68 VanDerWaalsContact CA-NH2 3.34Å; N56-R68 HydrophobicContact CB-CG 3.76Å; N56-R68 VanDerWaalsContact CG-CZ 3.47Å; N56-R68 PolarHBondContact ND2-NE 2.96Å; N56-R68 PolarHBondContact ND2-NH2 3.23Å; N56-R68 PolarHBondContact O-NH2 2.94Å; N56-R68 WeakPolarHBondContact OD1-CB 3.31Å; N56-R68 WeakPolarHBondContact OD1-CD 3.44Å; N56-R68 WeakPolarHBondContact OD1-CG 3.37Å; N56-R68 PolarHBondContact OD1-NE 2.68Å
57	Y	57.7	Low	58.8	Low	133 Å²	133	108.7 Å²	108.7	52%	0.522	53%	0.529	S	S	.	.	B	Isolated β-bridge	trans	-118.9	150.2	-177.4	70	-82.5	0	0	0	107.2	N59 I65 Y66	Y57-N59 PolarHBondContact O-N 3.45Å; Y57-I65 CarbonylContact O-C 3.51Å; Y57-I65 VanDerWaalsContact O-C 3.29Å; Y57-I65 WeakPolarHBondContact O-CA 3.21Å; Y57-I65 WeakPolarHBondContact O-CG2 3.35Å; Y57-Y66 PolarHBondContact O-N 2.99Å
58	Y	63.6	Low	59.4	Low	108 Å²	108	108.1 Å²	108.1	42%	0.424	53%	0.527	S	S	.	.			trans	-58.5	102.1	174.2	-150.8	-86.3	0	0	0	110.5	Y60 K63 C64 I65	Y58-Y60 VanDerWaalsContact C-N 3.26Å; Y58-Y60 AromaticContact CD1-CD1 3.63Å; Y58-Y60 HydrophobicContact CD1-CD1 3.63Å; Y58-Y60 AromaticContact CD1-CD2 3.73Å; Y58-Y60 HydrophobicContact CD1-CD2 3.73Å; Y58-Y60 AromaticContact CD1-CE1 3.56Å; Y58-Y60 HydrophobicContact CD1-CE1 3.56Å; Y58-Y60 AromaticContact CD1-CE2 3.65Å; Y58-Y60 HydrophobicContact CD1-CE2 3.65Å; Y58-Y60 AromaticContact CD1-CG 3.72Å; Y58-Y60 HydrophobicContact CD1-CG 3.72Å; Y58-Y60 AromaticContact CD1-CZ 3.57Å; Y58-Y60 AromaticContact CE1-CD1 3.87Å; Y58-Y60 HydrophobicContact CE1-CD1 3.87Å; Y58-Y60 AromaticContact CE1-CE1 3.87Å; Y58-Y60 HydrophobicContact CE1-CE1 3.87Å; Y58-Y60 HydrophobicContact CE1-CG 4.31Å; Y58-Y60 HydrophobicContact CG-CD2 4.43Å; Y58-Y60 HydrophobicContact CG-CE1 4.48Å; Y58-Y60 HydrophobicContact CG-CE2 4.07Å; Y58-Y60 WeakPolarHBondContact O-CD2 3.4Å; Y58-Y60 PolarHBondContact O-N 3.43Å; Y58-K63 PolarHBondContact OH-O 2.93Å; Y58-C64 CarbonylContact C-O 3.01Å; Y58-C64 WeakPolarHBondContact CA-O 3.48Å; Y58-C64 WeakPolarHBondContact CD1-O 3.33Å; Y58-C64 WeakPolarHBondContact CE1-O 3.04Å; Y58-I65 HydrophobicContact CD2-CB 4.48Å; Y58-I65 HydrophobicContact CD2-CD1 3.87Å; Y58-I65 HydrophobicContact CD2-CG1 3.22Å; Y58-I65 HydrophobicContact CE2-CG1 4Å; Y58-I65 HydrophobicContact CG-CG1 3.81Å
59	N	68.2	Low	60	Low	18 Å²	18	104.4 Å²	104.4	10%	0.096	52%	0.515	C	S	.	.			trans	-60.8	78.3	158.3	-161.5	-49.5	0	0	0	112.6	Y57 A61 R62 K63 C64 I65 Y66	Y57-N59 PolarHBondContact O-N 3.45Å; N59-A61 PolarHBondContact O-N 2.86Å; N59-A61 WeakPolarHBondContact OD1-CA 3.42Å; N59-A61 VanDerWaalsContact OD1-CB 3.23Å; N59-A61 WeakPolarHBondContact OD1-CB 3.4Å; N59-A61 PolarHBondContact OD1-N 2.87Å; N59-R62 PolarHBondContact O-N 3.48Å; N59-R62 PolarHBondContact OD1-N 3.27Å; N59-K63 CarbonylContact O-C 3.51Å; N59-K63 WeakPolarHBondContact O-CA 3.49Å; N59-K63 PolarHBondContact O-N 2.94Å; N59-C64 CarbonylContact C-O 2.86Å; N59-C64 WeakPolarHBondContact CA-O 2.98Å; N59-C64 PolarHBondContact N-O 3.2Å; N59-C64 CarbonylContact O-C 3.48Å; N59-C64 PolarHBondContact O-N 3.02Å; N59-I65 VanDerWaalsContact N-CA 3.31Å; N59-Y66 HydrophobicContact CB-CD2 3.73Å; N59-Y66 HydrophobicContact CB-CG 3.98Å; N59-Y66 VanDerWaalsContact CB-N 3.29Å; N59-Y66 VanDerWaalsContact ND2-CB 3.33Å; N59-Y66 WeakPolarHBondContact ND2-CB 3.41Å; N59-Y66 WeakPolarHBondContact ND2-CD2 3.12Å; N59-Y66 WeakPolarHBondContact ND2-CE2 3.45Å
60	Y	70	Confident	61.1	Low	179 Å²	179	101.4 Å²	101.4	70%	0.702	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-18.2	169.6	-70.3	-86	0	0	0	114.8	Y58 K63	Y58-Y60 VanDerWaalsContact C-N 3.26Å; Y58-Y60 AromaticContact CD1-CD1 3.63Å; Y58-Y60 HydrophobicContact CD1-CD1 3.63Å; Y58-Y60 AromaticContact CD1-CD2 3.73Å; Y58-Y60 HydrophobicContact CD1-CD2 3.73Å; Y58-Y60 AromaticContact CD1-CE1 3.56Å; Y58-Y60 HydrophobicContact CD1-CE1 3.56Å; Y58-Y60 AromaticContact CD1-CE2 3.65Å; Y58-Y60 HydrophobicContact CD1-CE2 3.65Å; Y58-Y60 AromaticContact CD1-CG 3.72Å; Y58-Y60 HydrophobicContact CD1-CG 3.72Å; Y58-Y60 AromaticContact CD1-CZ 3.57Å; Y58-Y60 AromaticContact CE1-CD1 3.87Å; Y58-Y60 HydrophobicContact CE1-CD1 3.87Å; Y58-Y60 AromaticContact CE1-CE1 3.87Å; Y58-Y60 HydrophobicContact CE1-CE1 3.87Å; Y58-Y60 HydrophobicContact CE1-CG 4.31Å; Y58-Y60 HydrophobicContact CG-CD2 4.43Å; Y58-Y60 HydrophobicContact CG-CE1 4.48Å; Y58-Y60 HydrophobicContact CG-CE2 4.07Å; Y58-Y60 WeakPolarHBondContact O-CD2 3.4Å; Y58-Y60 PolarHBondContact O-N 3.43Å; Y60-K63 WeakPolarHBondContact O-CA 3.29Å; Y60-K63 WeakPolarHBondContact O-CG 3.22Å; Y60-K63 PolarHBondContact O-N 3.36Å
61	A	60.3	Low	62.3	Low	100 Å²	100	103 Å²	103	83%	0.826	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-9.1	-178.3	0	0	0	0	0	115.2	N59	N59-A61 PolarHBondContact O-N 2.86Å; N59-A61 WeakPolarHBondContact OD1-CA 3.42Å; N59-A61 VanDerWaalsContact OD1-CB 3.23Å; N59-A61 WeakPolarHBondContact OD1-CB 3.4Å; N59-A61 PolarHBondContact OD1-N 2.87Å
62	R	69.4	Low	63.6	Low	174 Å²	174	103.8 Å²	103.8	66%	0.657	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-12.5	145.9	-73.1	-166.1	-177	172.6	3.5	111.9	N59 C64	N59-R62 PolarHBondContact O-N 3.48Å; N59-R62 PolarHBondContact OD1-N 3.27Å; R62-C64 WeakPolarHBondContact CB-SG 2.78Å
63	K	64.6	Low	64.8	Low	172 Å²	172	100 Å²	100	75%	0.748	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.6	46.7	-159.9	-57.3	-178.5	178.8	179.5	0	113.3	Y58 N59 Y60	Y58-K63 PolarHBondContact OH-O 2.93Å; N59-K63 CarbonylContact O-C 3.51Å; N59-K63 WeakPolarHBondContact O-CA 3.49Å; N59-K63 PolarHBondContact O-N 2.94Å; Y60-K63 WeakPolarHBondContact O-CA 3.29Å; Y60-K63 WeakPolarHBondContact O-CG 3.22Å; Y60-K63 PolarHBondContact O-N 3.36Å
64	C	53.2	Low	66	Low	47 Å²	47	99.1 Å²	99.1	32%	0.318	49%	0.487	S	S	.	.	S	Bend	trans	-151.1	-153.4	175.6	69.1	0	0	0	0	110.8	Y58 N59 R62	Y58-C64 CarbonylContact C-O 3.01Å; Y58-C64 WeakPolarHBondContact CA-O 3.48Å; Y58-C64 WeakPolarHBondContact CD1-O 3.33Å; Y58-C64 WeakPolarHBondContact CE1-O 3.04Å; N59-C64 CarbonylContact C-O 2.86Å; N59-C64 WeakPolarHBondContact CA-O 2.98Å; N59-C64 PolarHBondContact N-O 3.2Å; N59-C64 CarbonylContact O-C 3.48Å; N59-C64 PolarHBondContact O-N 3.02Å; R62-C64 WeakPolarHBondContact CB-SG 2.78Å
65	I	63.5	Low	67.4	Low	86 Å²	86	101.3 Å²	101.3	44%	0.441	50%	0.496	S	S	.	.			trans	-106.3	129.4	176.8	-69.6	173.8	0	0	0	110.3	N56 Y57 Y58 N59	N56-I65 HydrophobicContact CB-CG2 3.18Å; Y57-I65 CarbonylContact O-C 3.51Å; Y57-I65 VanDerWaalsContact O-C 3.29Å; Y57-I65 WeakPolarHBondContact O-CA 3.21Å; Y57-I65 WeakPolarHBondContact O-CG2 3.35Å; Y58-I65 HydrophobicContact CD2-CB 4.48Å; Y58-I65 HydrophobicContact CD2-CD1 3.87Å; Y58-I65 HydrophobicContact CD2-CG1 3.22Å; Y58-I65 HydrophobicContact CE2-CG1 4Å; Y58-I65 HydrophobicContact CG-CG1 3.81Å; N59-I65 VanDerWaalsContact N-CA 3.31Å
66	Y	65.9	Low	68.6	Low	91 Å²	91	101.2 Å²	101.2	36%	0.357	49%	0.487	S	S	.	.	B	Isolated β-bridge	trans	-95	141.9	178.1	-130.2	-127.3	0	0	0	112	Y57 N59	Y57-Y66 PolarHBondContact O-N 2.99Å; N59-Y66 HydrophobicContact CB-CD2 3.73Å; N59-Y66 HydrophobicContact CB-CG 3.98Å; N59-Y66 VanDerWaalsContact CB-N 3.29Å; N59-Y66 VanDerWaalsContact ND2-CB 3.33Å; N59-Y66 WeakPolarHBondContact ND2-CB 3.41Å; N59-Y66 WeakPolarHBondContact ND2-CD2 3.12Å; N59-Y66 WeakPolarHBondContact ND2-CE2 3.45Å
67	P	58	Low	69.5	Low	88 Å²	88	100.2 Å²	100.2	57%	0.571	48%	0.484	S	S	*	.			trans	-77.6	170.2	-172.3	-11	29.6	0	0	0	113.4	N56	N56-P67 WeakPolarHBondContact OD1-CA 3.19Å
68	R	65.6	Low	70.7	Confident	97 Å²	97	96.7 Å²	96.7	37%	0.366	47%	0.474	S	S	.	.	S	Bend		-113.1	-9	-128.7	-125.4	176.4	-134.1	-92.2	-17.1	112.1	P54 S55 N56	P54-R68 HydrophobicContact CB-CB 3.3Å; P54-R68 VanDerWaalsContact CB-CD 3.47Å; P54-R68 HydrophobicContact CB-CG 3.33Å; P54-R68 WeakPolarHBondContact CB-O 3.13Å; P54-R68 HydrophobicContact CG-CB 3.64Å; P54-R68 VanDerWaalsContact CG-CD 3.42Å; P54-R68 HydrophobicContact CG-CG 3.81Å; P54-R68 WeakPolarHBondContact O-CD 3.41Å; P54-R68 PolarHBondContact O-NE 2.96Å; P54-R68 PolarHBondContact O-NH1 3.35Å; S55-R68 VanDerWaalsContact C-CD 3.49Å; S55-R68 VanDerWaalsContact N-CG 3.33Å; S55-R68 WeakPolarHBondContact O-CG 3.36Å; N56-R68 VanDerWaalsContact CA-NH2 3.34Å; N56-R68 HydrophobicContact CB-CG 3.76Å; N56-R68 VanDerWaalsContact CG-CZ 3.47Å; N56-R68 PolarHBondContact ND2-NE 2.96Å; N56-R68 PolarHBondContact ND2-NH2 3.23Å; N56-R68 PolarHBondContact O-NH2 2.94Å; N56-R68 WeakPolarHBondContact OD1-CB 3.31Å; N56-R68 WeakPolarHBondContact OD1-CD 3.44Å; N56-R68 WeakPolarHBondContact OD1-CG 3.37Å; N56-R68 PolarHBondContact OD1-NE 2.68Å
69	H	66.7	Low	71.8	Confident	88 Å²	88	97.6 Å²	97.6	41%	0.407	48%	0.48	S	S	.	.			trans	-140.2	141.4	-178.8	-67.6	-58.2	0	0	0	109.1	P54 M73	P54-H69 WeakPolarHBondContact CB-CE1 3.06Å; P54-H69 VanDerWaalsContact CB-NE2 3.29Å; P54-H69 WeakPolarHBondContact CB-NE2 3.46Å; P54-H69 WeakPolarHBondContact CD-NE2 3.33Å; P54-H69 VanDerWaalsContact CG-CD2 3.44Å; P54-H69 WeakPolarHBondContact CG-CD2 3.22Å; P54-H69 WeakPolarHBondContact CG-NE2 3.29Å; H69-M73 HydrophobicContact CB-CB 4.36Å
70	S	74.5	Confident	72.6	Confident	54 Å²	54	97.9 Å²	97.9	38%	0.378	49%	0.485	S	S	.	.			trans	-80.6	160.1	176.1	60.2	0	0	0	0	112.1	T72 M73 W74	S70-T72 WeakPolarHBondContact CB-OG1 2.98Å; S70-T72 PolarHBondContact O-N 3.29Å; S70-T72 PolarHBondContact OG-OG1 3.48Å; S70-M73 CarbonylContact O-C 3.55Å; S70-M73 WeakPolarHBondContact O-CA 2.97Å; S70-M73 WeakPolarHBondContact O-CB 3.44Å; S70-M73 PolarHBondContact O-N 3.31Å; S70-M73 WeakPolarHBondContact OG-CB 3.48Å; S70-M73 VanDerWaalsContact OG-CG 3.22Å; S70-M73 WeakPolarHBondContact OG-CG 3.1Å; S70-M73 PolarHBondContact OG-N 2.92Å; S70-W74 PolarHBondContact O-N 3.38Å
71	E	76.9	Confident	73.1	Confident	125 Å²	125	92 Å²	92	58%	0.584	47%	0.473	S	S	*	.	H	α-helix	trans	-53.6	-38	170.9	-177	59	-148.2	0	0	111.6	W74 N75	E71-W74 PolarHBondContact O-N 3.44Å; E71-N75 WeakPolarHBondContact O-CB 3.15Å; E71-N75 PolarHBondContact O-N 2.89Å; E71-N75 PolarHBondContact O-ND2 2.89Å; E71-N75 PolarHBondContact OE1-ND2 3.38Å
72	T	78.2	Confident	74.3	Confident	107 Å²	107	93.2 Å²	93.2	66%	0.656	47%	0.465	S	S	*	.	H	α-helix	trans	-63.9	-41.6	173.6	49.4	0	0	0	0	112.5	S70 L76	S70-T72 WeakPolarHBondContact CB-OG1 2.98Å; S70-T72 PolarHBondContact O-N 3.29Å; S70-T72 PolarHBondContact OG-OG1 3.48Å; T72-L76 VanDerWaalsContact O-CB 3.29Å; T72-L76 WeakPolarHBondContact O-CB 3.43Å; T72-L76 PolarHBondContact O-N 2.82Å
73	M	75.2	Confident	75.2	Confident	75 Å²	75	89.4 Å²	89.4	37%	0.369	46%	0.455	S	S	.	.	H	α-helix	trans	-68.2	-41.6	174.8	-75.8	-63.4	-63.4	0	0	111.7	H69 S70 L76 V77	H69-M73 HydrophobicContact CB-CB 4.36Å; S70-M73 CarbonylContact O-C 3.55Å; S70-M73 WeakPolarHBondContact O-CA 2.97Å; S70-M73 WeakPolarHBondContact O-CB 3.44Å; S70-M73 PolarHBondContact O-N 3.31Å; S70-M73 WeakPolarHBondContact OG-CB 3.48Å; S70-M73 VanDerWaalsContact OG-CG 3.22Å; S70-M73 WeakPolarHBondContact OG-CG 3.1Å; S70-M73 PolarHBondContact OG-N 2.92Å; M73-L76 PolarHBondContact O-N 2.8Å; M73-L76 HydrophobicContact SD-CD2 4.3Å; M73-V77 WeakPolarHBondContact O-CB 3.2Å; M73-V77 WeakPolarHBondContact O-CG2 3.17Å; M73-V77 PolarHBondContact O-N 3.31Å
74	W	79.6	Confident	76.2	Confident	143 Å²	143	84.3 Å²	84.3	54%	0.542	44%	0.435	S	S	.	.	H	α-helix	trans	-60.3	-47.5	176.3	-178.6	87.9	0	0	0	111.3	S70 E71 L76 V77 N78	S70-W74 PolarHBondContact O-N 3.38Å; E71-W74 PolarHBondContact O-N 3.44Å; W74-L76 PolarHBondContact O-N 3.23Å; W74-V77 PolarHBondContact O-N 2.93Å; W74-N78 VanDerWaalsContact CH2-ND2 3.31Å; W74-N78 WeakPolarHBondContact CH2-ND2 2.92Å; W74-N78 WeakPolarHBondContact CZ2-ND2 3.47Å; W74-N78 PolarHBondContact NE1-ND2 2.94Å; W74-N78 WeakPolarHBondContact O-CB 3.29Å; W74-N78 PolarHBondContact O-N 3.48Å; W74-N78 PolarHBondContact O-ND2 3.37Å
75	N	83	Confident	77.8	Confident	77 Å²	77	84.4 Å²	84.4	41%	0.412	44%	0.44	S	S	.	.	H	α-helix	trans	-62.4	-41.3	175	-78	-56.7	0	0	0	112	E71 K79	E71-N75 WeakPolarHBondContact O-CB 3.15Å; E71-N75 PolarHBondContact O-N 2.89Å; E71-N75 PolarHBondContact O-ND2 2.89Å; E71-N75 PolarHBondContact OE1-ND2 3.38Å; N75-K79 WeakPolarHBondContact O-CB 3Å; N75-K79 PolarHBondContact O-N 3.11Å
76	L	82.8	Confident	79	Confident	99 Å²	99	82.2 Å²	82.2	52%	0.518	44%	0.435	S	S	.	.	H	α-helix	trans	-62.6	-44.9	177	-176.1	68	0	0	0	111.8	T72 M73 W74 K79 A80	T72-L76 VanDerWaalsContact O-CB 3.29Å; T72-L76 WeakPolarHBondContact O-CB 3.43Å; T72-L76 PolarHBondContact O-N 2.82Å; M73-L76 PolarHBondContact O-N 2.8Å; M73-L76 HydrophobicContact SD-CD2 4.3Å; W74-L76 PolarHBondContact O-N 3.23Å; L76-K79 PolarHBondContact O-N 3.46Å; L76-A80 WeakPolarHBondContact O-CB 3.38Å; L76-A80 PolarHBondContact O-N 3.19Å
77	V	82	Confident	80.1	Confident	44 Å²	44	82.1 Å²	82.1	27%	0.267	44%	0.437	S	S	.	.	H	α-helix	trans	-67.7	-47	-179.6	167.9	0	0	0	0	111.4	L51 M73 W74 K79 A80 A81	L51-V77 HydrophobicContact CD1-CB 4Å; L51-V77 HydrophobicContact CD1-CG1 3.31Å; L51-V77 HydrophobicContact CD1-CG2 3.4Å; L51-V77 VanDerWaalsContact CD1-CG2 3.4Å; M73-V77 WeakPolarHBondContact O-CB 3.2Å; M73-V77 WeakPolarHBondContact O-CG2 3.17Å; M73-V77 PolarHBondContact O-N 3.31Å; W74-V77 PolarHBondContact O-N 2.93Å; V77-K79 VanDerWaalsContact C-N 3.3Å; V77-K79 PolarHBondContact O-N 2.82Å; V77-A80 PolarHBondContact O-N 3.28Å; V77-A81 WeakPolarHBondContact O-CB 3.22Å; V77-A81 PolarHBondContact O-N 2.72Å
78	N	84	Confident	81.6	Confident	58 Å²	58	80.4 Å²	80.4	31%	0.31	42%	0.421	S	S	.	.	H	α-helix	trans	-62.4	-40.6	176.2	-74.5	-28.3	0	0	0	111.5	W74 A81 L82	W74-N78 VanDerWaalsContact CH2-ND2 3.31Å; W74-N78 WeakPolarHBondContact CH2-ND2 2.92Å; W74-N78 WeakPolarHBondContact CZ2-ND2 3.47Å; W74-N78 PolarHBondContact NE1-ND2 2.94Å; W74-N78 WeakPolarHBondContact O-CB 3.29Å; W74-N78 PolarHBondContact O-N 3.48Å; W74-N78 PolarHBondContact O-ND2 3.37Å; N78-A81 PolarHBondContact O-N 3.27Å; N78-L82 WeakPolarHBondContact O-CB 3.35Å; N78-L82 VanDerWaalsContact O-CG 3.29Å; N78-L82 WeakPolarHBondContact O-CG 3.38Å; N78-L82 PolarHBondContact O-N 3.04Å
79	K	86.3	Confident	82.8	Confident	128 Å²	128	84 Å²	84	56%	0.557	44%	0.435	S	S	*	.	H	α-helix	trans	-61.3	-45.1	174.5	-174.5	175	-179	178.7	0	111.4	N75 L76 V77 L82 Q83	N75-K79 WeakPolarHBondContact O-CB 3Å; N75-K79 PolarHBondContact O-N 3.11Å; L76-K79 PolarHBondContact O-N 3.46Å; V77-K79 VanDerWaalsContact C-N 3.3Å; V77-K79 PolarHBondContact O-N 2.82Å; K79-L82 PolarHBondContact O-N 2.89Å; K79-Q83 WeakPolarHBondContact O-CB 3.38Å; K79-Q83 WeakPolarHBondContact O-CG 3.48Å; K79-Q83 PolarHBondContact O-N 3.42Å
80	A	83.8	Confident	84.1	Confident	24 Å²	24	82.4 Å²	82.4	20%	0.198	44%	0.437	C	S	.	.	H	α-helix	trans	-63.7	-43.2	176.1	0	0	0	0	0	112.1	L76 V77 Q83 N84	L76-A80 WeakPolarHBondContact O-CB 3.38Å; L76-A80 PolarHBondContact O-N 3.19Å; V77-A80 PolarHBondContact O-N 3.28Å; A80-Q83 PolarHBondContact O-N 2.85Å; A80-N84 WeakPolarHBondContact O-CB 3.41Å; A80-N84 VanDerWaalsContact O-CG 3.26Å; A80-N84 PolarHBondContact O-N 3.43Å
81	A	82	Confident	85	Confident	54 Å²	54	83.7 Å²	83.7	45%	0.446	44%	0.437	S	S	.	.	H	α-helix	trans	-63.4	-43.7	177.2	0	0	0	0	0	112.1	V77 N78 N84 A85	V77-A81 WeakPolarHBondContact O-CB 3.22Å; V77-A81 PolarHBondContact O-N 2.72Å; N78-A81 PolarHBondContact O-N 3.27Å; A81-N84 PolarHBondContact O-N 3Å; A81-A85 VanDerWaalsContact O-CB 3.25Å; A81-A85 WeakPolarHBondContact O-CB 3.29Å; A81-A85 PolarHBondContact O-N 3.07Å
82	L	85.6	Confident	85.8	Confident	127 Å²	127	79.6 Å²	79.6	67%	0.665	43%	0.425	S	S	*	.	H	α-helix	trans	-63.9	-40.9	174.4	-73.3	171.5	0	0	0	111.9	N78 K79 A86	N78-L82 WeakPolarHBondContact O-CB 3.35Å; N78-L82 VanDerWaalsContact O-CG 3.29Å; N78-L82 WeakPolarHBondContact O-CG 3.38Å; N78-L82 PolarHBondContact O-N 3.04Å; K79-L82 PolarHBondContact O-N 2.89Å; L82-A86 VanDerWaalsContact O-CB 3.27Å; L82-A86 WeakPolarHBondContact O-CB 3.25Å; L82-A86 PolarHBondContact O-N 2.83Å
83	Q	87.3	Confident	86.6	Confident	94 Å²	94	80.3 Å²	80.3	44%	0.439	42%	0.421	S	S	.	.	H	α-helix	trans	-65.4	-45.8	176.1	-76.6	175.9	-28.8	0	0	111.9	K79 A80 A86 H87	K79-Q83 WeakPolarHBondContact O-CB 3.38Å; K79-Q83 WeakPolarHBondContact O-CG 3.48Å; K79-Q83 PolarHBondContact O-N 3.42Å; A80-Q83 PolarHBondContact O-N 2.85Å; Q83-A86 PolarHBondContact O-N 3.13Å; Q83-H87 WeakPolarHBondContact O-CB 3.27Å; Q83-H87 PolarHBondContact O-N 3.2Å
84	N	86.1	Confident	87.6	Confident	64 Å²	64	81 Å²	81	34%	0.342	42%	0.423	S	S	.	.	H	α-helix	trans	-61.9	-47.5	175.5	-72.1	-6	0	0	0	110.8	R47 A80 A81 A86 H87 E88	R47-N84 PolarHBondContact O-ND2 3.36Å; A80-N84 WeakPolarHBondContact O-CB 3.41Å; A80-N84 VanDerWaalsContact O-CG 3.26Å; A80-N84 PolarHBondContact O-N 3.43Å; A81-N84 PolarHBondContact O-N 3Å; N84-A86 VanDerWaalsContact C-N 3.3Å; N84-A86 PolarHBondContact O-N 3.18Å; N84-H87 PolarHBondContact O-N 3.16Å; N84-E88 WeakPolarHBondContact O-CB 3.47Å; N84-E88 VanDerWaalsContact O-CG 3.29Å; N84-E88 WeakPolarHBondContact O-CG 3.43Å; N84-E88 PolarHBondContact O-N 2.63Å
85	A	86.3	Confident	88.4	Confident	50 Å²	50	79.3 Å²	79.3	41%	0.413	42%	0.424	S	S	.	.	H	α-helix	trans	-63	-34.4	177.1	0	0	0	0	0	112.8	A81 R89	A81-A85 VanDerWaalsContact O-CB 3.25Å; A81-A85 WeakPolarHBondContact O-CB 3.29Å; A81-A85 PolarHBondContact O-N 3.07Å; A85-R89 WeakPolarHBondContact O-CB 3.23Å; A85-R89 VanDerWaalsContact O-CG 3.23Å; A85-R89 WeakPolarHBondContact O-CG 3.35Å; A85-R89 PolarHBondContact O-N 2.87Å; A85-R89 VanDerWaalsContact O-N 3.07Å; A85-R89 PolarHBondContact O-NE 2.71Å
86	A	88.8	Confident	89	Confident	40 Å²	40	82 Å²	82	33%	0.331	43%	0.428	S	S	.	.	H	α-helix	trans	-68.1	-43.8	173.1	0	0	0	0	0	111.9	L82 Q83 N84 R89 A90	L82-A86 VanDerWaalsContact O-CB 3.27Å; L82-A86 WeakPolarHBondContact O-CB 3.25Å; L82-A86 PolarHBondContact O-N 2.83Å; Q83-A86 PolarHBondContact O-N 3.13Å; N84-A86 VanDerWaalsContact C-N 3.3Å; N84-A86 PolarHBondContact O-N 3.18Å; A86-R89 PolarHBondContact O-N 3.42Å; A86-A90 WeakPolarHBondContact O-CB 3.33Å; A86-A90 PolarHBondContact O-N 3.14Å
87	H	89.2	Confident	89.7	Confident	88 Å²	88	81.6 Å²	81.6	41%	0.407	43%	0.426	S	S	.	.	H	α-helix	trans	-63	-48	176.4	179.6	62.7	0	0	0	112.1	Q83 N84 R89 A90 E91	Q83-H87 WeakPolarHBondContact O-CB 3.27Å; Q83-H87 PolarHBondContact O-N 3.2Å; N84-H87 PolarHBondContact O-N 3.16Å; H87-R89 VanDerWaalsContact C-N 3.34Å; H87-R89 PolarHBondContact O-N 3.38Å; H87-A90 WeakPolarHBondContact O-CB 3.47Å; H87-A90 PolarHBondContact O-N 3.44Å; H87-A90 VanDerWaalsContact O-N 3.13Å; H87-E91 IonicContact CE1-OE1 3.43Å; H87-E91 PolarHBondContact CE1-OE1 2.9Å; H87-E91 IonicContact NE2-OE1 3.36Å; H87-E91 PolarHBondContact NE2-OE1 3.5Å; H87-E91 IonicContact NE2-OE2 3.18Å; H87-E91 PolarHBondContact O-N 3.27Å
88	E	88.9	Confident	90.4	Very high	52 Å²	52	84.2 Å²	84.2	24%	0.243	44%	0.435	C	S	.	.	H	α-helix	trans	-60.5	-41.1	176	-71.2	-65.9	150.6	0	0	112	R47 N84 A90 E91 A92	R47-E88 WeakPolarHBondContact CD-OE1 3.28Å; R47-E88 WeakPolarHBondContact CG-OE1 3.33Å; R47-E88 IonicContact CZ-OE1 3.42Å; R47-E88 IonicContact NE-OE1 2.63Å; R47-E88 PolarHBondContact NE-OE1 3.39Å; R47-E88 IonicContact NH1-OE1 3.89Å; R47-E88 PolarHBondContact NH1-OE1 2.87Å; R47-E88 IonicContact NH1-OE2 3.18Å; N84-E88 WeakPolarHBondContact O-CB 3.47Å; N84-E88 VanDerWaalsContact O-CG 3.29Å; N84-E88 WeakPolarHBondContact O-CG 3.43Å; N84-E88 PolarHBondContact O-N 2.63Å; E88-A90 VanDerWaalsContact C-N 3.34Å; E88-A90 PolarHBondContact O-N 2.93Å; E88-E91 PolarHBondContact O-N 3.28Å; E88-A92 WeakPolarHBondContact O-CB 3.48Å; E88-A92 PolarHBondContact O-N 2.77Å
89	R	92.1	Very high	91	Very high	174 Å²	174	83.9 Å²	83.9	66%	0.657	44%	0.438	S	S	*	.	H	α-helix	trans	-62.6	-41.4	174.1	-78.9	-174.6	-60.3	139	-1.4	111.9	A85 A86 H87 E93	A85-R89 WeakPolarHBondContact O-CB 3.23Å; A85-R89 VanDerWaalsContact O-CG 3.23Å; A85-R89 WeakPolarHBondContact O-CG 3.35Å; A85-R89 PolarHBondContact O-N 2.87Å; A85-R89 VanDerWaalsContact O-N 3.07Å; A85-R89 PolarHBondContact O-NE 2.71Å; A86-R89 PolarHBondContact O-N 3.42Å; H87-R89 VanDerWaalsContact C-N 3.34Å; H87-R89 PolarHBondContact O-N 3.38Å; R89-E93 VanDerWaalsContact O-CB 3.28Å; R89-E93 WeakPolarHBondContact O-CB 3.21Å; R89-E93 PolarHBondContact O-N 3.34Å
90	A	93	Very high	91.5	Very high	54 Å²	54	86.3 Å²	86.3	45%	0.446	44%	0.443	S	S	.	.	H	α-helix	trans	-67	-45.7	177.6	0	0	0	0	0	112	A86 H87 E88 A92 E93 E94	A86-A90 WeakPolarHBondContact O-CB 3.33Å; A86-A90 PolarHBondContact O-N 3.14Å; H87-A90 WeakPolarHBondContact O-CB 3.47Å; H87-A90 PolarHBondContact O-N 3.44Å; H87-A90 VanDerWaalsContact O-N 3.13Å; E88-A90 VanDerWaalsContact C-N 3.34Å; E88-A90 PolarHBondContact O-N 2.93Å; A90-A92 VanDerWaalsContact C-N 3.34Å; A90-A92 PolarHBondContact O-N 2.8Å; A90-E93 PolarHBondContact O-N 3.44Å; A90-E94 WeakPolarHBondContact O-CB 3.07Å; A90-E94 PolarHBondContact O-N 3.22Å
91	E	93.5	Very high	92.1	Very high	80 Å²	80	90.5 Å²	90.5	37%	0.374	46%	0.459	S	S	.	.	H	α-helix	trans	-60.1	-43.3	174.2	-72.6	-167.8	152.1	0	0	111.2	R47 H87 E88 L95	R47-E91 IonicContact CZ-OE2 3.14Å; R47-E91 IonicContact NH1-OE2 2.76Å; R47-E91 PolarHBondContact NH1-OE2 3.49Å; R47-E91 IonicContact NH2-OE1 2.8Å; R47-E91 PolarHBondContact NH2-OE1 2.89Å; R47-E91 VanDerWaalsContact NH2-OE1 3.14Å; R47-E91 IonicContact NH2-OE2 3.95Å; R47-E91 PolarHBondContact NH2-OE2 2.7Å; R47-E91 VanDerWaalsContact NH2-OE2 3.16Å; H87-E91 IonicContact CE1-OE1 3.43Å; H87-E91 PolarHBondContact CE1-OE1 2.9Å; H87-E91 IonicContact NE2-OE1 3.36Å; H87-E91 PolarHBondContact NE2-OE1 3.5Å; H87-E91 IonicContact NE2-OE2 3.18Å; H87-E91 PolarHBondContact O-N 3.27Å; E88-E91 PolarHBondContact O-N 3.28Å; E91-L95 VanDerWaalsContact O-CB 3.32Å; E91-L95 WeakPolarHBondContact O-CB 3.32Å; E91-L95 PolarHBondContact O-N 3.46Å
92	A	94.2	Very high	92.8	Very high	39 Å²	39	93.6 Å²	93.6	32%	0.322	46%	0.462	S	S	.	.	H	α-helix	trans	-68	-35.4	177.4	0	0	0	0	0	112.9	E88 A90 R96	E88-A92 WeakPolarHBondContact O-CB 3.48Å; E88-A92 PolarHBondContact O-N 2.77Å; A90-A92 VanDerWaalsContact C-N 3.34Å; A90-A92 PolarHBondContact O-N 2.8Å; A92-R96 WeakPolarHBondContact O-CB 3.31Å; A92-R96 VanDerWaalsContact O-CG 3.28Å; A92-R96 WeakPolarHBondContact O-CG 3.42Å; A92-R96 PolarHBondContact O-N 3.43Å; A92-R96 PolarHBondContact O-NH1 2.84Å
93	E	95.6	Very high	93.4	Very high	123 Å²	123	91.2 Å²	91.2	58%	0.575	45%	0.45	S	S	*	.	H	α-helix	trans	-66.9	-46.3	175	-175.7	170.9	-175.5	0	0	111.9	R89 A90 R96 L97	R89-E93 VanDerWaalsContact O-CB 3.28Å; R89-E93 WeakPolarHBondContact O-CB 3.21Å; R89-E93 PolarHBondContact O-N 3.34Å; A90-E93 PolarHBondContact O-N 3.44Å; E93-R96 PolarHBondContact O-N 3.25Å; E93-L97 WeakPolarHBondContact O-CB 3.18Å; E93-L97 PolarHBondContact O-N 2.89Å
94	E	95.6	Very high	93.8	Very high	90 Å²	90	93.7 Å²	93.7	42%	0.421	46%	0.461	S	S	.	.	H	α-helix	trans	-60.6	-46.3	174.3	-178.6	58.2	-157	0	0	111	A90 R96 L97 Q98	A90-E94 WeakPolarHBondContact O-CB 3.07Å; A90-E94 PolarHBondContact O-N 3.22Å; E94-R96 VanDerWaalsContact C-N 3.33Å; E94-R96 PolarHBondContact O-N 3.25Å; E94-L97 PolarHBondContact O-N 3.18Å; E94-Q98 HydrophobicContact CG-CG 4.37Å; E94-Q98 WeakPolarHBondContact O-CB 3.28Å; E94-Q98 VanDerWaalsContact O-CG 3.31Å; E94-Q98 WeakPolarHBondContact O-CG 3.47Å; E94-Q98 PolarHBondContact O-N 2.97Å; E94-Q98 WeakPolarHBondContact OE1-CG 3.37Å; E94-Q98 PolarHBondContact OE1-NE2 3.43Å
95	L	95.7	Very high	94.3	Very high	107 Å²	107	96.5 Å²	96.5	56%	0.56	47%	0.472	S	S	*	.	H	α-helix	trans	-58.4	-43.1	175.2	177.7	65.3	0	0	0	111.9	E91 S99	E91-L95 VanDerWaalsContact O-CB 3.32Å; E91-L95 WeakPolarHBondContact O-CB 3.32Å; E91-L95 PolarHBondContact O-N 3.46Å; L95-S99 WeakPolarHBondContact O-CB 3.5Å; L95-S99 PolarHBondContact O-N 2.95Å; L95-S99 PolarHBondContact O-OG 3.26Å
96	R	96.7	Very high	94.9	Very high	134 Å²	134	97 Å²	97	51%	0.506	47%	0.47	S	S	.	.	H	α-helix	trans	-62.8	-45.2	176	-77.4	-170.8	-49.1	-86.2	3	111.1	A92 E93 E94 S99 W100	A92-R96 WeakPolarHBondContact O-CB 3.31Å; A92-R96 VanDerWaalsContact O-CG 3.28Å; A92-R96 WeakPolarHBondContact O-CG 3.42Å; A92-R96 PolarHBondContact O-N 3.43Å; A92-R96 PolarHBondContact O-NH1 2.84Å; E93-R96 PolarHBondContact O-N 3.25Å; E94-R96 VanDerWaalsContact C-N 3.33Å; E94-R96 PolarHBondContact O-N 3.25Å; R96-S99 PolarHBondContact O-N 2.87Å; R96-W100 WeakPolarHBondContact O-CB 3.22Å; R96-W100 VanDerWaalsContact O-CD1 3.26Å; R96-W100 PolarHBondContact O-N 3.36Å
97	L	96.2	Very high	95.3	Very high	89 Å²	89	99 Å²	99	47%	0.466	48%	0.475	S	S	.	.	H	α-helix	trans	-62.2	-50	179.2	-179.4	62.3	0	0	0	111.1	E93 E94 S99 W100 Q101	E93-L97 WeakPolarHBondContact O-CB 3.18Å; E93-L97 PolarHBondContact O-N 2.89Å; E94-L97 PolarHBondContact O-N 3.18Å; L97-S99 VanDerWaalsContact C-N 3.32Å; L97-S99 PolarHBondContact O-N 2.69Å; L97-W100 PolarHBondContact O-N 2.86Å; L97-Q101 WeakPolarHBondContact O-CG 3.48Å; L97-Q101 PolarHBondContact O-N 3.37Å
98	Q	96.7	Very high	95.7	Very high	99 Å²	99	103.3 Å²	103.3	46%	0.463	49%	0.488	S	S	.	.	H	α-helix	trans	-59.9	-42	175.9	-70.2	-180	2.3	0	0	111.8	E94 Q101 K102	E94-Q98 HydrophobicContact CG-CG 4.37Å; E94-Q98 WeakPolarHBondContact O-CB 3.28Å; E94-Q98 VanDerWaalsContact O-CG 3.31Å; E94-Q98 WeakPolarHBondContact O-CG 3.47Å; E94-Q98 PolarHBondContact O-N 2.97Å; E94-Q98 WeakPolarHBondContact OE1-CG 3.37Å; E94-Q98 PolarHBondContact OE1-NE2 3.43Å; Q98-Q101 PolarHBondContact O-N 2.97Å; Q98-K102 VanDerWaalsContact O-CB 3.26Å; Q98-K102 WeakPolarHBondContact O-CB 3.47Å; Q98-K102 PolarHBondContact O-N 2.84Å
99	S	97	Very high	96.1	Very high	52 Å²	52	105.1 Å²	105.1	36%	0.364	50%	0.496	S	S	.	.	H	α-helix	trans	-63.4	-44.1	177.2	-62.7	0	0	0	0	111.5	L95 R96 L97 K102 I103	L95-S99 WeakPolarHBondContact O-CB 3.5Å; L95-S99 PolarHBondContact O-N 2.95Å; L95-S99 PolarHBondContact O-OG 3.26Å; R96-S99 PolarHBondContact O-N 2.87Å; L97-S99 VanDerWaalsContact C-N 3.32Å; L97-S99 PolarHBondContact O-N 2.69Å; S99-K102 PolarHBondContact O-N 3.37Å; S99-I103 WeakPolarHBondContact O-CB 3.35Å; S99-I103 WeakPolarHBondContact O-CG1 3.26Å; S99-I103 PolarHBondContact O-N 3.29Å
100	W	96.7	Very high	96.3	Very high	178 Å²	178	100.7 Å²	100.7	67%	0.674	49%	0.489	S	S	*	.	H	α-helix	trans	-63.7	-45.2	176.6	-90.2	113.2	0	0	0	112.6	R96 L97 K102 I103 Q104	R96-W100 WeakPolarHBondContact O-CB 3.22Å; R96-W100 VanDerWaalsContact O-CD1 3.26Å; R96-W100 PolarHBondContact O-N 3.36Å; L97-W100 PolarHBondContact O-N 2.86Å; W100-K102 VanDerWaalsContact C-N 3.29Å; W100-K102 PolarHBondContact O-N 3.46Å; W100-I103 PolarHBondContact O-N 2.91Å; W100-Q104 PolarHBondContact O-N 3.45Å
101	Q	96.5	Very high	96.5	Very high	112 Å²	112	107 Å²	107	52%	0.523	50%	0.501	S	S	.	.	H	α-helix	trans	-59.2	-43.3	174	-71.8	175.9	-1.5	0	0	111	L97 Q98 Q104 Q105	L97-Q101 WeakPolarHBondContact O-CG 3.48Å; L97-Q101 PolarHBondContact O-N 3.37Å; Q98-Q101 PolarHBondContact O-N 2.97Å; Q101-Q104 PolarHBondContact O-N 3.31Å; Q101-Q105 WeakPolarHBondContact O-CB 3.35Å; Q101-Q105 PolarHBondContact O-N 2.9Å
102	K	97	Very high	96.7	Very high	119 Å²	119	107 Å²	107	52%	0.517	50%	0.503	S	S	.	.	H	α-helix	trans	-64.1	-44	177.6	-173.1	60.1	174.5	-178	0	112.1	Q98 S99 W100 Q104 Q105 V106	Q98-K102 VanDerWaalsContact O-CB 3.26Å; Q98-K102 WeakPolarHBondContact O-CB 3.47Å; Q98-K102 PolarHBondContact O-N 2.84Å; S99-K102 PolarHBondContact O-N 3.37Å; W100-K102 VanDerWaalsContact C-N 3.29Å; W100-K102 PolarHBondContact O-N 3.46Å; K102-Q104 PolarHBondContact O-N 2.9Å; K102-Q105 PolarHBondContact O-N 2.99Å; K102-V106 HydrophobicContact CD-CG2 4.01Å; K102-V106 HydrophobicContact CG-CG2 4.28Å; K102-V106 WeakPolarHBondContact O-CB 3.38Å; K102-V106 VanDerWaalsContact O-CG2 3.24Å; K102-V106 WeakPolarHBondContact O-CG2 3.36Å; K102-V106 PolarHBondContact O-N 2.9Å
103	I	97.6	Very high	96.9	Very high	78 Å²	78	112.2 Å²	112.2	40%	0.4	51%	0.514	S	S	.	.	H	α-helix	trans	-58.1	-48.2	175.5	-72.5	163.8	0	0	0	110.2	S99 W100 V106 N107	S99-I103 WeakPolarHBondContact O-CB 3.35Å; S99-I103 WeakPolarHBondContact O-CG1 3.26Å; S99-I103 PolarHBondContact O-N 3.29Å; W100-I103 PolarHBondContact O-N 2.91Å; I103-V106 PolarHBondContact O-N 3.49Å; I103-N107 WeakPolarHBondContact CG2-ND2 3.29Å; I103-N107 VanDerWaalsContact O-CB 3.29Å; I103-N107 WeakPolarHBondContact O-CB 3.47Å; I103-N107 PolarHBondContact O-N 2.87Å; I103-N107 PolarHBondContact O-ND2 3.39Å
104	Q	96.6	Very high	96.9	Very high	146 Å²	146	109.5 Å²	109.5	68%	0.682	50%	0.501	S	S	*	.	H	α-helix	trans	-63.5	-45.6	179.8	-170.6	-177.7	17.7	0	0	111.8	W100 Q101 K102 R108	W100-Q104 PolarHBondContact O-N 3.45Å; Q101-Q104 PolarHBondContact O-N 3.31Å; K102-Q104 PolarHBondContact O-N 2.9Å; Q104-R108 WeakPolarHBondContact O-CB 3.29Å; Q104-R108 PolarHBondContact O-N 3.38Å
105	Q	97.3	Very high	97	Very high	122 Å²	122	107.6 Å²	107.6	57%	0.57	50%	0.501	S	S	*	.	H	α-helix	trans	-60.8	-48.2	177.8	-174	-170.6	14	0	0	111.4	Q101 K102 R108 Q109	Q101-Q105 WeakPolarHBondContact O-CB 3.35Å; Q101-Q105 PolarHBondContact O-N 2.9Å; K102-Q105 PolarHBondContact O-N 2.99Å; Q105-R108 PolarHBondContact O-N 3.49Å; Q105-Q109 WeakPolarHBondContact O-CB 3.24Å; Q105-Q109 PolarHBondContact O-N 3.3Å
106	V	97.4	Very high	97.1	Very high	62 Å²	62	106.9 Å²	106.9	38%	0.376	50%	0.495	S	S	.	.	H	α-helix	trans	-64.4	-47	-179.7	170.4	0	0	0	0	110.5	K102 I103 R108 Q109 T110	K102-V106 HydrophobicContact CD-CG2 4.01Å; K102-V106 HydrophobicContact CG-CG2 4.28Å; K102-V106 WeakPolarHBondContact O-CB 3.38Å; K102-V106 VanDerWaalsContact O-CG2 3.24Å; K102-V106 WeakPolarHBondContact O-CG2 3.36Å; K102-V106 PolarHBondContact O-N 2.9Å; I103-V106 PolarHBondContact O-N 3.49Å; V106-R108 VanDerWaalsContact C-N 3.32Å; V106-R108 PolarHBondContact O-N 3.33Å; V106-Q109 PolarHBondContact O-N 3.35Å; V106-T110 WeakPolarHBondContact O-CB 3.01Å; V106-T110 PolarHBondContact O-N 3.01Å; V106-T110 PolarHBondContact O-OG1 3.49Å
107	N	97.5	Very high	97.1	Very high	81 Å²	81	103 Å²	103	43%	0.433	49%	0.492	S	S	.	.	H	α-helix	trans	-59.1	-42.2	177.4	-75.2	-21.3	0	0	0	112.3	I103 R111	I103-N107 WeakPolarHBondContact CG2-ND2 3.29Å; I103-N107 VanDerWaalsContact O-CB 3.29Å; I103-N107 WeakPolarHBondContact O-CB 3.47Å; I103-N107 PolarHBondContact O-N 2.87Å; I103-N107 PolarHBondContact O-ND2 3.39Å; N107-R111 VanDerWaalsContact O-CG 3.29Å; N107-R111 WeakPolarHBondContact O-CG 3.35Å; N107-R111 PolarHBondContact O-N 3.11Å; N107-R111 VanDerWaalsContact O-N 3.11Å
108	R	97.4	Very high	97.1	Very high	179 Å²	179	100.7 Å²	100.7	68%	0.675	48%	0.481	S	S	*	.	H	α-helix	trans	-64	-48.4	175.7	-177.5	-179.5	177.1	-161.4	-0.7	111.2	Q104 Q105 V106 T110 R111 I112	Q104-R108 WeakPolarHBondContact O-CB 3.29Å; Q104-R108 PolarHBondContact O-N 3.38Å; Q105-R108 PolarHBondContact O-N 3.49Å; V106-R108 VanDerWaalsContact C-N 3.32Å; V106-R108 PolarHBondContact O-N 3.33Å; R108-T110 PolarHBondContact O-N 3.2Å; R108-R111 PolarHBondContact O-N 3.48Å; R108-I112 HydrophobicContact CG-CD1 3.89Å; R108-I112 WeakPolarHBondContact O-CG1 3.36Å; R108-I112 PolarHBondContact O-N 2.97Å
109	Q	97.9	Very high	97.2	Very high	90 Å²	90	99.8 Å²	99.8	42%	0.421	48%	0.48	S	S	.	.	H	α-helix	trans	-61.9	-43.7	-179.3	-174	61.5	59.9	0	0	111.7	Q105 V106 I112 R113	Q105-Q109 WeakPolarHBondContact O-CB 3.24Å; Q105-Q109 PolarHBondContact O-N 3.3Å; V106-Q109 PolarHBondContact O-N 3.35Å; Q109-I112 PolarHBondContact O-N 2.84Å; Q109-R113 WeakPolarHBondContact O-CG 3.38Å; Q109-R113 PolarHBondContact O-N 2.9Å
110	T	97.2	Very high	97.2	Very high	80 Å²	80	102.8 Å²	102.8	49%	0.491	49%	0.486	S	S	.	.	H	α-helix	trans	-61	-45.3	177.4	-59.2	0	0	0	0	111.4	V106 R108 I112 R113 Q114	V106-T110 WeakPolarHBondContact O-CB 3.01Å; V106-T110 PolarHBondContact O-N 3.01Å; V106-T110 PolarHBondContact O-OG1 3.49Å; R108-T110 PolarHBondContact O-N 3.2Å; T110-I112 PolarHBondContact O-N 2.83Å; T110-R113 PolarHBondContact O-N 3.46Å; T110-Q114 WeakPolarHBondContact O-CB 3.4Å; T110-Q114 PolarHBondContact O-N 3.43Å
111	R	96.7	Very high	97.2	Very high	186 Å²	186	96.6 Å²	96.6	70%	0.702	47%	0.466	S	S	*	.	H	α-helix	trans	-61.5	-44.3	176.2	-73	174.9	-173.2	179.1	2.1	112.3	N107 R108 Q114 A115	N107-R111 VanDerWaalsContact O-CG 3.29Å; N107-R111 WeakPolarHBondContact O-CG 3.35Å; N107-R111 PolarHBondContact O-N 3.11Å; N107-R111 VanDerWaalsContact O-N 3.11Å; R108-R111 PolarHBondContact O-N 3.48Å; R111-Q114 PolarHBondContact O-N 3.35Å; R111-A115 WeakPolarHBondContact O-CB 3.42Å; R111-A115 PolarHBondContact O-N 3.33Å
112	I	97.9	Very high	97.3	Very high	82 Å²	82	96.1 Å²	96.1	42%	0.421	46%	0.459	S	S	.	.	H	α-helix	trans	-62.5	-46.9	178.3	-69.9	169.7	0	0	0	110.6	R108 Q109 T110 Q114 A115 E116	R108-I112 HydrophobicContact CG-CD1 3.89Å; R108-I112 WeakPolarHBondContact O-CG1 3.36Å; R108-I112 PolarHBondContact O-N 2.97Å; Q109-I112 PolarHBondContact O-N 2.84Å; T110-I112 PolarHBondContact O-N 2.83Å; I112-Q114 PolarHBondContact O-N 2.94Å; I112-A115 PolarHBondContact O-N 3.39Å; I112-E116 WeakPolarHBondContact O-CB 3.42Å; I112-E116 PolarHBondContact O-N 3.43Å
113	R	96.9	Very high	97.3	Very high	147 Å²	147	94.1 Å²	94.1	56%	0.555	45%	0.452	S	S	*	.	H	α-helix	trans	-62.9	-41	178.6	-70.1	-58	-172.7	-175.4	4.9	112.5	Q109 T110 E116 A117	Q109-R113 WeakPolarHBondContact O-CG 3.38Å; Q109-R113 PolarHBondContact O-N 2.9Å; T110-R113 PolarHBondContact O-N 3.46Å; R113-E116 IonicContact CZ-OE2 2.82Å; R113-E116 IonicContact NH1-OE1 3.64Å; R113-E116 IonicContact NH1-OE2 3.53Å; R113-E116 PolarHBondContact NH1-OE2 2.99Å; R113-E116 PolarHBondContact O-N 2.7Å; R113-A117 WeakPolarHBondContact O-CB 3.42Å; R113-A117 PolarHBondContact O-N 2.94Å
114	Q	96.8	Very high	97.3	Very high	66 Å²	66	93.4 Å²	93.4	31%	0.308	44%	0.444	S	S	.	.	H	α-helix	trans	-63.4	-46.1	176.4	-173.3	167.9	30.4	0	0	111.3	T110 R111 I112 E116 A117 T118 N251	T110-Q114 WeakPolarHBondContact O-CB 3.4Å; T110-Q114 PolarHBondContact O-N 3.43Å; R111-Q114 PolarHBondContact O-N 3.35Å; I112-Q114 PolarHBondContact O-N 2.94Å; Q114-E116 PolarHBondContact O-N 3.32Å; Q114-A117 PolarHBondContact O-N 3.25Å; Q114-T118 PolarHBondContact O-N 3.15Å; Q114-T118 PolarHBondContact O-OG1 3.4Å; Q114-T118 VanDerWaalsContact O-OG1 3.05Å; Q114-N251 PolarHBondContact NE2-OD1 3.48Å; Q114-N251 PolarHBondContact OE1-ND2 3.39Å; Q114-N251 PolarHBondContact OE1-OD1 3.47Å
115	A	96.7	Very high	97.4	Very high	50 Å²	50	87.3 Å²	87.3	41%	0.413	42%	0.417	S	S	.	.	H	α-helix	trans	-62.5	-40.9	177	0	0	0	0	0	112.6	R111 I112 T118 N119	R111-A115 WeakPolarHBondContact O-CB 3.42Å; R111-A115 PolarHBondContact O-N 3.33Å; I112-A115 PolarHBondContact O-N 3.39Å; A115-T118 PolarHBondContact O-N 2.98Å; A115-N119 WeakPolarHBondContact O-CB 3.41Å; A115-N119 VanDerWaalsContact O-CG 3.27Å; A115-N119 PolarHBondContact O-N 3.43Å; A115-N119 PolarHBondContact O-ND2 3.46Å
116	E	97.8	Very high	97.4	Very high	92 Å²	92	86.2 Å²	86.2	43%	0.43	41%	0.412	S	S	.	.	H	α-helix	trans	-59.1	-48.8	174.8	-176.2	-179.3	-168.2	0	0	111.2	I112 R113 Q114 N119 K120	I112-E116 WeakPolarHBondContact O-CB 3.42Å; I112-E116 PolarHBondContact O-N 3.43Å; R113-E116 IonicContact CZ-OE2 2.82Å; R113-E116 IonicContact NH1-OE1 3.64Å; R113-E116 IonicContact NH1-OE2 3.53Å; R113-E116 PolarHBondContact NH1-OE2 2.99Å; R113-E116 PolarHBondContact O-N 2.7Å; Q114-E116 PolarHBondContact O-N 3.32Å; E116-N119 PolarHBondContact O-N 3.32Å; E116-K120 WeakPolarHBondContact O-CG 3.49Å; E116-K120 PolarHBondContact O-N 3Å
117	A	96.7	Very high	97.4	Very high	54 Å²	54	87.1 Å²	87.1	45%	0.446	41%	0.412	S	S	.	.	H	α-helix	trans	-63.4	-44.1	177.9	0	0	0	0	0	112.5	R113 Q114 N119 K120 L121	R113-A117 WeakPolarHBondContact O-CB 3.42Å; R113-A117 PolarHBondContact O-N 2.94Å; Q114-A117 PolarHBondContact O-N 3.25Å; A117-N119 VanDerWaalsContact C-N 3.3Å; A117-N119 PolarHBondContact O-N 2.96Å; A117-K120 PolarHBondContact O-N 3.05Å; A117-L121 WeakPolarHBondContact O-CG 3.27Å; A117-L121 PolarHBondContact O-N 3.43Å
118	T	97.3	Very high	97.5	Very high	40 Å²	40	83.3 Å²	83.3	25%	0.245	39%	0.391	C	S	.	.	H	α-helix	trans	-60.2	-39.8	175.8	-60.9	0	0	0	0	111.9	Q114 A115 L121 R122 H247	Q114-T118 PolarHBondContact O-N 3.15Å; Q114-T118 PolarHBondContact O-OG1 3.4Å; Q114-T118 VanDerWaalsContact O-OG1 3.05Å; A115-T118 PolarHBondContact O-N 2.98Å; T118-L121 PolarHBondContact O-N 2.94Å; T118-R122 PolarHBondContact O-N 3.26Å; T118-R122 VanDerWaalsContact O-N 3.08Å; T118-H247 PolarHBondContact O-ND1 2.89Å
119	N	97.5	Very high	97.5	Very high	80 Å²	80	77.6 Å²	77.6	43%	0.428	38%	0.375	S	S	.	.	H	α-helix	trans	-66.1	-40.8	175.4	-75.8	-24	0	0	0	112	A115 E116 A117 L121 R122 E123	A115-N119 WeakPolarHBondContact O-CB 3.41Å; A115-N119 VanDerWaalsContact O-CG 3.27Å; A115-N119 PolarHBondContact O-N 3.43Å; A115-N119 PolarHBondContact O-ND2 3.46Å; E116-N119 PolarHBondContact O-N 3.32Å; A117-N119 VanDerWaalsContact C-N 3.3Å; A117-N119 PolarHBondContact O-N 2.96Å; N119-L121 VanDerWaalsContact C-N 3.34Å; N119-R122 WeakPolarHBondContact O-CB 3.39Å; N119-R122 PolarHBondContact O-N 3.4Å; N119-E123 WeakPolarHBondContact O-CG 3.48Å; N119-E123 PolarHBondContact O-N 3.3Å
120	K	97.8	Very high	97.5	Very high	115 Å²	115	77.8 Å²	77.8	50%	0.5	38%	0.375	S	S	.	.	H	α-helix	trans	-66	-35.2	176	-68.1	-65.2	168.9	-159.2	0	113	E116 A117 E123 R124	E116-K120 WeakPolarHBondContact O-CG 3.49Å; E116-K120 PolarHBondContact O-N 3Å; A117-K120 PolarHBondContact O-N 3.05Å; K120-E123 WeakPolarHBondContact CD-OE2 3.47Å; K120-E123 IonicContact NZ-OE1 3.85Å; K120-E123 PolarHBondContact NZ-OE1 3.19Å; K120-E123 IonicContact NZ-OE2 3.36Å; K120-E123 PolarHBondContact NZ-OE2 3.37Å; K120-R124 WeakPolarHBondContact O-CB 3.36Å; K120-R124 PolarHBondContact O-N 2.95Å
121	L	97.4	Very high	97.6	Very high	47 Å²	47	75.5 Å²	75.5	25%	0.246	36%	0.357	C	S	.	.	H	α-helix	trans	-63.1	-42	170.7	-72.8	168.9	0	0	0	111.6	A117 T118 N119 R124 V125 L246 H247	A117-L121 WeakPolarHBondContact O-CG 3.27Å; A117-L121 PolarHBondContact O-N 3.43Å; T118-L121 PolarHBondContact O-N 2.94Å; N119-L121 VanDerWaalsContact C-N 3.34Å; L121-R124 PolarHBondContact O-N 3.08Å; L121-V125 WeakPolarHBondContact O-CG2 3.48Å; L121-V125 PolarHBondContact O-N 3.06Å; L121-L246 HydrophobicContact CD1-CB 4.1Å; L121-L246 HydrophobicContact CD2-CB 4.32Å; L121-H247 HydrophobicContact CB-CB 4.26Å
122	R	97.9	Very high	97.6	Very high	102 Å²	102	67.4 Å²	67.4	39%	0.385	33%	0.328	S	S	.	.	H	α-helix	trans	-61.5	-49.9	176	-171.9	-179.6	60.3	87.9	1.5	112.2	T118 N119 R124 V125 E126	T118-R122 PolarHBondContact O-N 3.26Å; T118-R122 VanDerWaalsContact O-N 3.08Å; N119-R122 WeakPolarHBondContact O-CB 3.39Å; N119-R122 PolarHBondContact O-N 3.4Å; R122-R124 PolarHBondContact O-N 2.93Å; R122-V125 PolarHBondContact O-N 3.45Å; R122-E126 IonicContact CZ-OE1 3.26Å; R122-E126 IonicContact NH1-OE1 2.92Å; R122-E126 PolarHBondContact NH1-OE1 2.64Å; R122-E126 IonicContact NH1-OE2 2.68Å; R122-E126 WeakPolarHBondContact O-CG 3.46Å; R122-E126 PolarHBondContact O-N 3.01Å
123	E	97.7	Very high	97.7	Very high	77 Å²	77	66.7 Å²	66.7	36%	0.36	32%	0.324	S	S	.	.	H	α-helix	trans	-54.8	-41.4	175.6	-71.7	171.6	-162.8	0	0	110.6	N119 K120 E126 E127	N119-E123 WeakPolarHBondContact O-CG 3.48Å; N119-E123 PolarHBondContact O-N 3.3Å; K120-E123 WeakPolarHBondContact CD-OE2 3.47Å; K120-E123 IonicContact NZ-OE1 3.85Å; K120-E123 PolarHBondContact NZ-OE1 3.19Å; K120-E123 IonicContact NZ-OE2 3.36Å; K120-E123 PolarHBondContact NZ-OE2 3.37Å; E123-E126 PolarHBondContact O-N 3.19Å; E123-E127 WeakPolarHBondContact O-CG 3.2Å; E123-E127 PolarHBondContact O-N 2.97Å
124	R	97.6	Very high	97.7	Very high	63 Å²	63	63.8 Å²	63.8	24%	0.238	32%	0.317	C	S	.	.	H	α-helix	trans	-67	-43	178.7	-175.2	56.7	177.2	165.5	4	113.3	K120 L121 R122 E126 E127 I128 D243 W275	K120-R124 WeakPolarHBondContact O-CB 3.36Å; K120-R124 PolarHBondContact O-N 2.95Å; L121-R124 PolarHBondContact O-N 3.08Å; R122-R124 PolarHBondContact O-N 2.93Å; R124-E126 VanDerWaalsContact C-N 3.28Å; R124-E126 PolarHBondContact O-N 3.46Å; R124-E127 IonicContact CZ-OE2 2.77Å; R124-E127 IonicContact NH1-OE2 3.78Å; R124-E127 PolarHBondContact NH1-OE2 3.42Å; R124-E127 PolarHBondContact O-N 2.86Å; R124-I128 HydrophobicContact CG-CD1 4Å; R124-I128 HydrophobicContact CG-CG1 4.49Å; R124-I128 WeakPolarHBondContact O-CG1 3.33Å; R124-I128 PolarHBondContact O-N 2.79Å; R124-D243 WeakPolarHBondContact CG-OD2 3.5Å; R124-W275 VanDerWaalsContact NH1-CZ3 3.25Å
125	V	97.8	Very high	97.8	Very high	19 Å²	19	60.6 Å²	60.6	12%	0.115	30%	0.302	C	S	.	.	H	α-helix	trans	-57.6	-44.5	173.7	165.9	0	0	0	0	110.5	L121 R122 E127 I128 N129 D243 D244	L121-V125 WeakPolarHBondContact O-CG2 3.48Å; L121-V125 PolarHBondContact O-N 3.06Å; R122-V125 PolarHBondContact O-N 3.45Å; V125-E127 PolarHBondContact O-N 3.14Å; V125-I128 PolarHBondContact O-N 3.04Å; V125-N129 VanDerWaalsContact O-CB 3.23Å; V125-N129 WeakPolarHBondContact O-CB 3.26Å; V125-N129 PolarHBondContact O-N 2.71Å; V125-D243 HydrophobicContact CG2-CB 3.63Å; V125-D244 WeakPolarHBondContact CG1-OD1 3.49Å
126	E	97.9	Very high	97.9	Very high	98 Å²	98	63.1 Å²	63.1	46%	0.458	30%	0.304	S	S	.	.	H	α-helix	trans	-61.1	-44.4	178.3	-70.5	168.5	-173.1	0	0	111.5	R122 E123 R124 N129 H130	R122-E126 IonicContact CZ-OE1 3.26Å; R122-E126 IonicContact NH1-OE1 2.92Å; R122-E126 PolarHBondContact NH1-OE1 2.64Å; R122-E126 IonicContact NH1-OE2 2.68Å; R122-E126 WeakPolarHBondContact O-CG 3.46Å; R122-E126 PolarHBondContact O-N 3.01Å; E123-E126 PolarHBondContact O-N 3.19Å; R124-E126 VanDerWaalsContact C-N 3.28Å; R124-E126 PolarHBondContact O-N 3.46Å; E126-N129 PolarHBondContact O-N 3.2Å; E126-H130 WeakPolarHBondContact O-CB 3.41Å; E126-H130 PolarHBondContact O-N 3.27Å
127	E	97.7	Very high	98	Very high	81 Å²	81	62.6 Å²	62.6	38%	0.379	31%	0.307	S	S	.	.	H	α-helix	trans	-61.2	-47.6	174.5	-72.7	-179.8	174.9	0	0	112.7	E123 R124 V125 N129 H130 W131 W275	E123-E127 WeakPolarHBondContact O-CG 3.2Å; E123-E127 PolarHBondContact O-N 2.97Å; R124-E127 IonicContact CZ-OE2 2.77Å; R124-E127 IonicContact NH1-OE2 3.78Å; R124-E127 PolarHBondContact NH1-OE2 3.42Å; R124-E127 PolarHBondContact O-N 2.86Å; V125-E127 PolarHBondContact O-N 3.14Å; E127-N129 VanDerWaalsContact C-N 3.33Å; E127-N129 PolarHBondContact O-N 3.47Å; E127-H130 PolarHBondContact O-N 2.89Å; E127-W131 VanDerWaalsContact O-CD1 3.23Å; E127-W131 PolarHBondContact O-N 3.35Å; E127-W131 VanDerWaalsContact O-N 3.16Å; E127-W275 HydrophobicContact CB-CH2 4.42Å
128	I	98.2	Very high	98.1	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-62.4	-45.3	179.9	-66.2	167.9	0	0	0	109.7	R124 V125 H130 W131 K132 K236 A239 Q240 D243 W275	R124-I128 HydrophobicContact CG-CD1 4Å; R124-I128 HydrophobicContact CG-CG1 4.49Å; R124-I128 WeakPolarHBondContact O-CG1 3.33Å; R124-I128 PolarHBondContact O-N 2.79Å; V125-I128 PolarHBondContact O-N 3.04Å; I128-H130 PolarHBondContact O-N 2.98Å; I128-W131 PolarHBondContact O-N 3.21Å; I128-K132 WeakPolarHBondContact O-CB 3.48Å; I128-K132 PolarHBondContact O-N 2.92Å; I128-K236 HydrophobicContact CG2-CB 3.94Å; I128-K236 HydrophobicContact CG2-CG 4.25Å; I128-K236 VanDerWaalsContact CG2-O 3.28Å; I128-K236 WeakPolarHBondContact CG2-O 3.23Å; I128-A239 HydrophobicContact CD1-CB 4.06Å; I128-Q240 HydrophobicContact CG2-CB 3.8Å; I128-D243 WeakPolarHBondContact CD1-OD2 3.47Å; I128-W275 HydrophobicContact CG1-CH2 4.29Å; I128-W275 HydrophobicContact CG1-CZ2 3.97Å
129	N	98.2	Very high	98.1	Very high	60 Å²	60	59 Å²	59	32%	0.321	28%	0.279	S	S	.	.	H	α-helix	trans	-62.1	-42.5	179.9	-174.3	58.3	0	0	0	111.8	V125 E126 E127 K132 N133	V125-N129 VanDerWaalsContact O-CB 3.23Å; V125-N129 WeakPolarHBondContact O-CB 3.26Å; V125-N129 PolarHBondContact O-N 2.71Å; E126-N129 PolarHBondContact O-N 3.2Å; E127-N129 VanDerWaalsContact C-N 3.33Å; E127-N129 PolarHBondContact O-N 3.47Å; N129-K132 PolarHBondContact O-N 3.34Å; N129-N133 WeakPolarHBondContact O-CB 3.4Å; N129-N133 PolarHBondContact O-N 3.25Å; N129-N133 PolarHBondContact O-ND2 3.44Å; N129-N133 VanDerWaalsContact O-ND2 3.14Å
130	H	98.2	Very high	98.2	Very high	94 Å²	94	60 Å²	60	44%	0.435	28%	0.28	S	S	.	.	H	α-helix	trans	-56.4	-57.8	174.9	172.3	59.9	0	0	0	111.3	E126 E127 I128 K132 N133 E134	E126-H130 WeakPolarHBondContact O-CB 3.41Å; E126-H130 PolarHBondContact O-N 3.27Å; E127-H130 PolarHBondContact O-N 2.89Å; I128-H130 PolarHBondContact O-N 2.98Å; H130-K132 VanDerWaalsContact C-N 3.31Å; H130-K132 PolarHBondContact O-N 3.05Å; H130-N133 PolarHBondContact O-N 3.02Å; H130-N133 VanDerWaalsContact O-N 3.12Å; H130-E134 PolarHBondContact O-N 3.03Å
131	W	98.4	Very high	98.2	Very high	31 Å²	31	57 Å²	57	12%	0.117	27%	0.27	C	S	.	.	H	α-helix	trans	-65.9	-31.8	-178.2	-72.7	111.3	0	0	0	113.3	E127 I128 N133 E134 L135 K236 W275 M276 T279 Q280 L283	E127-W131 VanDerWaalsContact O-CD1 3.23Å; E127-W131 PolarHBondContact O-N 3.35Å; E127-W131 VanDerWaalsContact O-N 3.16Å; I128-W131 PolarHBondContact O-N 3.21Å; W131-N133 VanDerWaalsContact C-N 3.34Å; W131-E134 HydrophobicContact CE3-CB 4.45Å; W131-E134 HydrophobicContact CE3-CG 4.42Å; W131-E134 PolarHBondContact O-N 3.36Å; W131-L135 WeakPolarHBondContact O-CG 3.41Å; W131-L135 PolarHBondContact O-N 3.29Å; W131-L135 VanDerWaalsContact O-N 3.08Å; W131-K236 HydrophobicContact CB-CD 4.14Å; W131-W275 HydrophobicContact CB-CH2 4.35Å; W131-W275 AromaticContact CD1-CH2 3.43Å; W131-W275 VanDerWaalsContact CD1-CH2 3.43Å; W131-W275 AromaticContact CD1-CZ3 3.5Å; W131-W275 HydrophobicContact CG-CH2 4.15Å; W131-W275 HydrophobicContact CG-CZ3 4.42Å; W131-W275 AromaticContact NE1-CZ3 3.9Å; W131-M276 HydrophobicContact CH2-CG 4.4Å; W131-M276 HydrophobicContact CZ2-CE 4.27Å; W131-M276 HydrophobicContact CZ2-CG 3.55Å; W131-M276 HydrophobicContact CZ2-SD 3.93Å; W131-T279 HydrophobicContact CB-CG2 4.23Å; W131-T279 HydrophobicContact CD2-CG2 4.32Å; W131-T279 HydrophobicContact CE3-CG2 3.84Å; W131-Q280 HydrophobicContact CH2-CG 3.57Å; W131-Q280 HydrophobicContact CZ2-CG 4.27Å; W131-Q280 HydrophobicContact CZ3-CG 3.84Å; W131-L283 HydrophobicContact CE3-CD1 4.1Å; W131-L283 HydrophobicContact CZ3-CD1 3.91Å
132	K	98.2	Very high	98.3	Very high	17 Å²	17	54.8 Å²	54.8	7%	0.074	26%	0.258	C	S	.	.	H	α-helix	trans	-62.7	-41.6	173.1	-173.2	179.4	75.8	173.6	0	111.4	I128 N129 H130 L135 K136 K236 D237	I128-K132 WeakPolarHBondContact O-CB 3.48Å; I128-K132 PolarHBondContact O-N 2.92Å; N129-K132 PolarHBondContact O-N 3.34Å; H130-K132 VanDerWaalsContact C-N 3.31Å; H130-K132 PolarHBondContact O-N 3.05Å; K132-L135 PolarHBondContact O-N 2.87Å; K132-K136 WeakPolarHBondContact O-CG 3.31Å; K132-K136 PolarHBondContact O-N 2.95Å; K132-K236 HydrophobicContact CB-CB 4.2Å; K132-K236 HydrophobicContact CB-CD 4.45Å; K132-K236 HydrophobicContact CG-CB 4.38Å; K132-D237 HydrophobicContact CD-CB 4.06Å; K132-D237 IonicContact NZ-OD1 3.44Å; K132-D237 PolarHBondContact NZ-OD1 3.29Å
133	N	98.3	Very high	98.3	Very high	66 Å²	66	53.7 Å²	53.7	35%	0.353	26%	0.257	S	S	.	.	H	α-helix	trans	-70.3	-39.5	179.1	-67.6	-25	0	0	0	111.7	N129 H130 W131 L135 K136 T137	N129-N133 WeakPolarHBondContact O-CB 3.4Å; N129-N133 PolarHBondContact O-N 3.25Å; N129-N133 PolarHBondContact O-ND2 3.44Å; N129-N133 VanDerWaalsContact O-ND2 3.14Å; H130-N133 PolarHBondContact O-N 3.02Å; H130-N133 VanDerWaalsContact O-N 3.12Å; W131-N133 VanDerWaalsContact C-N 3.34Å; N133-L135 VanDerWaalsContact C-N 3.32Å; N133-L135 PolarHBondContact O-N 3.47Å; N133-K136 PolarHBondContact O-N 2.78Å; N133-T137 PolarHBondContact O-N 3.1Å; N133-T137 PolarHBondContact O-OG1 2.87Å; N133-T137 VanDerWaalsContact O-OG1 3.13Å
134	E	98.6	Very high	98.4	Very high	86 Å²	86	53.9 Å²	53.9	40%	0.402	26%	0.258	S	S	.	.	H	α-helix	trans	-57.5	-44.7	172.4	-66.7	-58	116.2	0	0	111.6	H130 W131 T137 E138 L283	H130-E134 PolarHBondContact O-N 3.03Å; W131-E134 HydrophobicContact CE3-CB 4.45Å; W131-E134 HydrophobicContact CE3-CG 4.42Å; W131-E134 PolarHBondContact O-N 3.36Å; E134-T137 PolarHBondContact O-N 3.05Å; E134-E138 WeakPolarHBondContact O-CB 3.45Å; E134-E138 PolarHBondContact O-N 3.13Å; E134-L283 HydrophobicContact CB-CD1 4.12Å
135	L	98.7	Very high	98.4	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.3	-45.8	175.1	-72.6	168	0	0	0	112.3	W131 K132 N133 T137 E138 I139 L229 D232 A233 K236 T279 L283	W131-L135 WeakPolarHBondContact O-CG 3.41Å; W131-L135 PolarHBondContact O-N 3.29Å; W131-L135 VanDerWaalsContact O-N 3.08Å; K132-L135 PolarHBondContact O-N 2.87Å; N133-L135 VanDerWaalsContact C-N 3.32Å; N133-L135 PolarHBondContact O-N 3.47Å; L135-T137 PolarHBondContact O-N 2.98Å; L135-E138 PolarHBondContact O-N 3Å; L135-I139 WeakPolarHBondContact O-CD1 3.43Å; L135-I139 WeakPolarHBondContact O-CG1 3.26Å; L135-I139 PolarHBondContact O-N 3Å; L135-L229 HydrophobicContact CD2-CB 4.39Å; L135-L229 HydrophobicContact CD2-CD2 3.42Å; L135-L229 VanDerWaalsContact CD2-CD2 3.42Å; L135-D232 HydrophobicContact CD1-CB 3.88Å; L135-D232 HydrophobicContact CD2-CB 4.32Å; L135-A233 HydrophobicContact CB-CB 4.16Å; L135-A233 HydrophobicContact CD1-CB 4.23Å; L135-K236 HydrophobicContact CD1-CD 3.62Å; L135-T279 HydrophobicContact CD1-CG2 3.97Å; L135-T279 HydrophobicContact CD2-CG2 3.92Å; L135-T279 HydrophobicContact CG-CG2 3.86Å; L135-L283 HydrophobicContact CD2-CD2 4.09Å; L135-L283 HydrophobicContact CD2-CG 4.29Å
136	K	98.5	Very high	98.4	Very high	103 Å²	103	50.5 Å²	50.5	45%	0.448	24%	0.244	S	C	.	.	H	α-helix	trans	-62.2	-42.4	179.2	-75.1	-179	178.7	-173.4	0	112.2	K132 N133 I139 H140	K132-K136 WeakPolarHBondContact O-CG 3.31Å; K132-K136 PolarHBondContact O-N 2.95Å; N133-K136 PolarHBondContact O-N 2.78Å; K136-I139 PolarHBondContact O-N 2.96Å; K136-H140 PolarHBondContact O-N 3.45Å; K136-H140 VanDerWaalsContact O-N 3.16Å
137	T	98.6	Very high	98.5	Very high	81 Å²	81	50.9 Å²	50.9	50%	0.497	25%	0.245	S	C	.	.	H	α-helix	trans	-61.3	-47.1	174.8	-61.5	0	0	0	0	111	N133 E134 L135 I139 H140 L141	N133-T137 PolarHBondContact O-N 3.1Å; N133-T137 PolarHBondContact O-OG1 2.87Å; N133-T137 VanDerWaalsContact O-OG1 3.13Å; E134-T137 PolarHBondContact O-N 3.05Å; L135-T137 PolarHBondContact O-N 2.98Å; T137-I139 PolarHBondContact O-N 3.47Å; T137-H140 PolarHBondContact O-N 2.88Å; T137-L141 HydrophobicContact CG2-CD1 4.17Å; T137-L141 WeakPolarHBondContact O-CG 3.44Å; T137-L141 PolarHBondContact O-N 3.29Å
138	E	98.7	Very high	98.5	Very high	8 Å²	8	51.8 Å²	51.8	4%	0.037	25%	0.245	C	C	.	.	H	α-helix	trans	-66.7	-35.4	179.9	-177.3	60.1	-153.2	0	0	112.6	E134 L135 L141 N142 L229 L283 S286 Q287 R290	E134-E138 WeakPolarHBondContact O-CB 3.45Å; E134-E138 PolarHBondContact O-N 3.13Å; L135-E138 PolarHBondContact O-N 3Å; E138-L141 PolarHBondContact O-N 3.44Å; E138-N142 WeakPolarHBondContact O-CB 3.32Å; E138-N142 PolarHBondContact O-N 3.38Å; E138-L229 HydrophobicContact CB-CD1 4.32Å; E138-L229 HydrophobicContact CG-CD1 3.74Å; E138-L229 HydrophobicContact CG-CD2 4.47Å; E138-L283 HydrophobicContact CB-CD2 3.59Å; E138-L283 HydrophobicContact CG-CD2 3.89Å; E138-S286 WeakPolarHBondContact CG-OG 3.38Å; E138-S286 VanDerWaalsContact OE1-CB 3.25Å; E138-S286 WeakPolarHBondContact OE1-CB 3.35Å; E138-S286 PolarHBondContact OE1-OG 2.68Å; E138-Q287 PolarHBondContact OE1-N 3.17Å; E138-R290 IonicContact OE1-CZ 3.85Å; E138-R290 IonicContact OE1-NE 3.43Å; E138-R290 PolarHBondContact OE1-NE 3.19Å; E138-R290 IonicContact OE1-NH2 2.7Å; E138-R290 PolarHBondContact OE1-NH2 2.83Å; E138-R290 IonicContact OE2-CZ 3.86Å; E138-R290 IonicContact OE2-NE 2.87Å; E138-R290 IonicContact OE2-NH2 2.83Å; E138-R290 PolarHBondContact OE2-NH2 3.47Å
139	I	98.8	Very high	98.5	Very high	11 Å²	11	51.7 Å²	51.7	6%	0.056	25%	0.245	C	C	.	.	H	α-helix	trans	-58.1	-48.6	172.8	-72.2	161.9	0	0	0	110.4	L135 K136 T137 L141 N142 E143 Q226 L229 Q230 A233	L135-I139 WeakPolarHBondContact O-CD1 3.43Å; L135-I139 WeakPolarHBondContact O-CG1 3.26Å; L135-I139 PolarHBondContact O-N 3Å; K136-I139 PolarHBondContact O-N 2.96Å; T137-I139 PolarHBondContact O-N 3.47Å; I139-L141 PolarHBondContact O-N 3.35Å; I139-N142 WeakPolarHBondContact O-CB 3.35Å; I139-N142 PolarHBondContact O-N 3.16Å; I139-E143 WeakPolarHBondContact O-CG 3.38Å; I139-E143 PolarHBondContact O-N 3.4Å; I139-Q226 HydrophobicContact CG2-CG 4.31Å; I139-L229 HydrophobicContact CD1-CB 3.99Å; I139-L229 HydrophobicContact CG1-CB 3.56Å; I139-L229 HydrophobicContact CG1-CD1 4.03Å; I139-L229 HydrophobicContact CG1-CG 4.46Å; I139-Q230 HydrophobicContact CD1-CB 4.45Å; I139-A233 HydrophobicContact CD1-CB 4.19Å
140	H	98.6	Very high	98.5	Very high	100 Å²	100	51.5 Å²	51.5	46%	0.463	24%	0.241	S	C	.	.	H	α-helix	trans	-61.4	-45.6	178.2	-177.3	-89.5	0	0	0	112	K136 T137 N142 E143 E144	K136-H140 PolarHBondContact O-N 3.45Å; K136-H140 VanDerWaalsContact O-N 3.16Å; T137-H140 PolarHBondContact O-N 2.88Å; H140-N142 VanDerWaalsContact C-N 3.26Å; H140-N142 PolarHBondContact O-N 3.14Å; H140-E143 WeakPolarHBondContact O-CB 3.32Å; H140-E143 PolarHBondContact O-N 3.5Å; H140-E144 IonicContact CE1-OE1 3.82Å; H140-E144 PolarHBondContact CE1-OE1 3.16Å; H140-E144 IonicContact ND1-OE1 3.71Å; H140-E144 WeakPolarHBondContact O-CG 3.37Å; H140-E144 PolarHBondContact O-N 3.5Å
141	L	98.8	Very high	98.4	Very high	52 Å²	52	50.6 Å²	50.6	27%	0.272	24%	0.243	S	C	.	.	H	α-helix	trans	-63	-33.4	177.1	-67.3	173.9	0	0	0	112.5	T137 E138 I139 E145 R290	T137-L141 HydrophobicContact CG2-CD1 4.17Å; T137-L141 WeakPolarHBondContact O-CG 3.44Å; T137-L141 PolarHBondContact O-N 3.29Å; E138-L141 PolarHBondContact O-N 3.44Å; I139-L141 PolarHBondContact O-N 3.35Å; L141-E145 PolarHBondContact O-N 3.49Å; L141-R290 WeakPolarHBondContact O-CD 3.24Å
142	N	98.8	Very high	98.3	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-68.9	-44.5	174.5	-169.6	-57.9	0	0	0	110.9	E138 I139 H140 E145 Q146 L222 T225 S286	E138-N142 WeakPolarHBondContact O-CB 3.32Å; E138-N142 PolarHBondContact O-N 3.38Å; I139-N142 WeakPolarHBondContact O-CB 3.35Å; I139-N142 PolarHBondContact O-N 3.16Å; H140-N142 VanDerWaalsContact C-N 3.26Å; H140-N142 PolarHBondContact O-N 3.14Å; N142-E145 PolarHBondContact O-N 2.94Å; N142-Q146 WeakPolarHBondContact O-CG 3.46Å; N142-Q146 PolarHBondContact O-N 3.34Å; N142-Q146 PolarHBondContact OD1-NE2 3.47Å; N142-L222 PolarHBondContact OD1-O 3.26Å; N142-T225 PolarHBondContact ND2-OG1 2.79Å; N142-T225 VanDerWaalsContact ND2-OG1 3.16Å; N142-S286 PolarHBondContact ND2-OG 3.33Å
143	E	98.6	Very high	98.3	Very high	80 Å²	80	49.4 Å²	49.4	37%	0.374	24%	0.239	S	C	.	.	H	α-helix	trans	-58.3	-47.8	175.4	-75.2	172.4	-176.9	0	0	112.3	I139 H140 E145 Q146 E147 Q226	I139-E143 WeakPolarHBondContact O-CG 3.38Å; I139-E143 PolarHBondContact O-N 3.4Å; H140-E143 WeakPolarHBondContact O-CB 3.32Å; H140-E143 PolarHBondContact O-N 3.5Å; E143-E145 VanDerWaalsContact C-N 3.29Å; E143-E145 PolarHBondContact O-N 3.18Å; E143-Q146 WeakPolarHBondContact O-CB 3.23Å; E143-Q146 PolarHBondContact O-N 2.92Å; E143-Q146 VanDerWaalsContact O-N 3.15Å; E143-E147 PolarHBondContact O-N 3.35Å; E143-Q226 VanDerWaalsContact CD-NE2 3.35Å; E143-Q226 PolarHBondContact OE1-NE2 3.08Å
144	E	98.5	Very high	98.2	Very high	80 Å²	80	52.7 Å²	52.7	37%	0.374	25%	0.252	S	S	.	.	H	α-helix	trans	-57.4	-43.2	175.2	-72.5	-176.4	156	0	0	111.7	H140 Q146 E147 R148	H140-E144 IonicContact CE1-OE1 3.82Å; H140-E144 PolarHBondContact CE1-OE1 3.16Å; H140-E144 IonicContact ND1-OE1 3.71Å; H140-E144 WeakPolarHBondContact O-CG 3.37Å; H140-E144 PolarHBondContact O-N 3.5Å; E144-Q146 VanDerWaalsContact C-N 3.34Å; E144-Q146 PolarHBondContact O-N 2.9Å; E144-E147 PolarHBondContact O-N 3.34Å; E144-R148 WeakPolarHBondContact O-CG 3.18Å; E144-R148 PolarHBondContact O-N 3.41Å
145	E	98.5	Very high	98	Very high	3 Å²	3	50.1 Å²	50.1	1%	0.014	24%	0.241	C	C	.	.	H	α-helix	trans	-67	-35.9	178.2	-175.7	54.8	-155.2	0	0	112.4	L141 N142 E143 R148 L149 L222 R290 S293 E294 R297	L141-E145 PolarHBondContact O-N 3.49Å; N142-E145 PolarHBondContact O-N 2.94Å; E143-E145 VanDerWaalsContact C-N 3.29Å; E143-E145 PolarHBondContact O-N 3.18Å; E145-R148 PolarHBondContact O-N 3.24Å; E145-R148 IonicContact OE2-CZ 3.94Å; E145-R148 VanDerWaalsContact OE2-CZ 3.25Å; E145-R148 IonicContact OE2-NE 3.71Å; E145-R148 PolarHBondContact OE2-NE 3.23Å; E145-R148 IonicContact OE2-NH2 2.87Å; E145-R148 PolarHBondContact OE2-NH2 2.73Å; E145-L149 WeakPolarHBondContact O-CB 3.45Å; E145-L149 PolarHBondContact O-N 3.47Å; E145-L222 HydrophobicContact CG-CD1 4.16Å; E145-R290 HydrophobicContact CB-CG 4.25Å; E145-R290 HydrophobicContact CG-CB 4.46Å; E145-R290 HydrophobicContact CG-CG 4.38Å; E145-S293 WeakPolarHBondContact CG-OG 3.36Å; E145-S293 WeakPolarHBondContact OE1-CB 3.47Å; E145-S293 PolarHBondContact OE1-OG 3.17Å; E145-E294 PolarHBondContact OE1-N 2.94Å; E145-R297 IonicContact OE1-CZ 3.76Å; E145-R297 IonicContact OE1-NE 3.96Å; E145-R297 PolarHBondContact OE1-NE 3.16Å; E145-R297 IonicContact OE1-NH2 2.71Å; E145-R297 PolarHBondContact OE1-NH2 3.41Å; E145-R297 IonicContact OE2-CZ 3.93Å; E145-R297 IonicContact OE2-NE 2.66Å; E145-R297 IonicContact OE2-NH2 3.71Å; E145-R297 PolarHBondContact OE2-NH2 3.43Å
146	Q	98.6	Very high	97.9	Very high	9 Å²	9	50.1 Å²	50.1	4%	0.042	24%	0.241	C	C	.	.	H	α-helix	trans	-61.9	-43.8	173.1	-71.3	-177.2	48.2	0	0	111.9	N142 E143 E144 L149 K150 L219 L222	N142-Q146 WeakPolarHBondContact O-CG 3.46Å; N142-Q146 PolarHBondContact O-N 3.34Å; N142-Q146 PolarHBondContact OD1-NE2 3.47Å; E143-Q146 WeakPolarHBondContact O-CB 3.23Å; E143-Q146 PolarHBondContact O-N 2.92Å; E143-Q146 VanDerWaalsContact O-N 3.15Å; E144-Q146 VanDerWaalsContact C-N 3.34Å; E144-Q146 PolarHBondContact O-N 2.9Å; Q146-L149 PolarHBondContact O-N 3.4Å; Q146-K150 VanDerWaalsContact O-CG 3.26Å; Q146-K150 WeakPolarHBondContact O-CG 3.11Å; Q146-K150 PolarHBondContact O-N 3.45Å; Q146-L219 HydrophobicContact CB-CD1 3.85Å; Q146-L219 HydrophobicContact CG-CD1 3.9Å; Q146-L222 HydrophobicContact CG-CB 3.67Å; Q146-L222 HydrophobicContact CG-CD1 3.97Å; Q146-L222 HydrophobicContact CG-CG 4.41Å
147	E	98.4	Very high	97.8	Very high	105 Å²	105	48.1 Å²	48.1	49%	0.491	24%	0.235	S	C	.	.	H	α-helix	trans	-63	-44.6	177.2	-67.1	-48.9	126.2	0	0	111.3	E143 E144 L149 K150 T151	E143-E147 PolarHBondContact O-N 3.35Å; E144-E147 PolarHBondContact O-N 3.34Å; E147-L149 VanDerWaalsContact C-N 3.34Å; E147-L149 PolarHBondContact O-N 2.68Å; E147-K150 WeakPolarHBondContact O-CB 3.28Å; E147-K150 PolarHBondContact O-N 2.66Å; E147-K150 IonicContact OE1-NZ 3.41Å; E147-K150 PolarHBondContact OE1-NZ 2.75Å; E147-K150 IonicContact OE2-NZ 2.87Å; E147-T151 PolarHBondContact O-N 3Å; E147-T151 PolarHBondContact O-OG1 3.31Å
148	R	98.2	Very high	97.5	Very high	100 Å²	100	48.1 Å²	48.1	38%	0.377	23%	0.227	S	C	.	.	H	α-helix	trans	-59.5	-43.4	175.4	-68.7	-172.4	-63.5	-133.6	-1.4	112.2	E144 E145 T151 N152	E144-R148 WeakPolarHBondContact O-CG 3.18Å; E144-R148 PolarHBondContact O-N 3.41Å; E145-R148 PolarHBondContact O-N 3.24Å; E145-R148 IonicContact OE2-CZ 3.94Å; E145-R148 VanDerWaalsContact OE2-CZ 3.25Å; E145-R148 IonicContact OE2-NE 3.71Å; E145-R148 PolarHBondContact OE2-NE 3.23Å; E145-R148 IonicContact OE2-NH2 2.87Å; E145-R148 PolarHBondContact OE2-NH2 2.73Å; R148-T151 PolarHBondContact O-N 3.35Å; R148-N152 PolarHBondContact O-N 3.14Å; R148-N152 VanDerWaalsContact O-N 3.11Å; R148-N152 PolarHBondContact O-OD1 3.06Å
149	L	98.4	Very high	97.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-67.2	-37.9	178	-173.8	62.1	0	0	0	112.2	E145 Q146 E147 T151 N152 I153 A215 Q218 L219 L222 L296 R297	E145-L149 WeakPolarHBondContact O-CB 3.45Å; E145-L149 PolarHBondContact O-N 3.47Å; Q146-L149 PolarHBondContact O-N 3.4Å; E147-L149 VanDerWaalsContact C-N 3.34Å; E147-L149 PolarHBondContact O-N 2.68Å; L149-T151 VanDerWaalsContact C-N 3.34Å; L149-T151 PolarHBondContact O-N 3.47Å; L149-N152 PolarHBondContact O-N 3.12Å; L149-I153 HydrophobicContact CG-CD1 4.43Å; L149-I153 WeakPolarHBondContact O-CG1 3.34Å; L149-I153 PolarHBondContact O-N 3.4Å; L149-A215 HydrophobicContact CD1-CB 3.97Å; L149-A215 WeakPolarHBondContact CD2-O 3.41Å; L149-Q218 HydrophobicContact CD2-CB 3.98Å; L149-Q218 HydrophobicContact CD2-CG 3.99Å; L149-L219 HydrophobicContact CD2-CB 3.95Å; L149-L222 HydrophobicContact CD2-CD1 4.04Å; L149-L296 HydrophobicContact CD1-CD2 4.45Å; L149-R297 HydrophobicContact CD1-CG 3.98Å
150	K	98.2	Very high	97	Very high	56 Å²	56	49 Å²	49	24%	0.243	23%	0.23	C	C	.	.	H	α-helix	trans	-60	-43.2	173.3	-73.8	168.8	-171.9	171.4	0	111.6	Q146 E147 N152 I153 Q154 L219	Q146-K150 VanDerWaalsContact O-CG 3.26Å; Q146-K150 WeakPolarHBondContact O-CG 3.11Å; Q146-K150 PolarHBondContact O-N 3.45Å; E147-K150 WeakPolarHBondContact O-CB 3.28Å; E147-K150 PolarHBondContact O-N 2.66Å; E147-K150 IonicContact OE1-NZ 3.41Å; E147-K150 PolarHBondContact OE1-NZ 2.75Å; E147-K150 IonicContact OE2-NZ 2.87Å; K150-N152 VanDerWaalsContact C-N 3.33Å; K150-N152 PolarHBondContact O-N 3.02Å; K150-I153 PolarHBondContact O-N 3.34Å; K150-Q154 WeakPolarHBondContact O-CG 3.26Å; K150-Q154 PolarHBondContact O-N 3.44Å; K150-L219 HydrophobicContact CG-CD1 4.23Å; K150-L219 HydrophobicContact CG-CD2 3.86Å
151	T	96.3	Very high	96.7	Very high	75 Å²	75	48.4 Å²	48.4	46%	0.46	23%	0.23	S	C	.	.	H	α-helix	trans	-59.7	-43.4	174.5	-56.4	0	0	0	0	111.3	E147 R148 L149 I153 Q154 L155	E147-T151 PolarHBondContact O-N 3Å; E147-T151 PolarHBondContact O-OG1 3.31Å; R148-T151 PolarHBondContact O-N 3.35Å; L149-T151 VanDerWaalsContact C-N 3.34Å; L149-T151 PolarHBondContact O-N 3.47Å; T151-I153 PolarHBondContact O-N 2.84Å; T151-Q154 PolarHBondContact O-N 3.11Å; T151-L155 WeakPolarHBondContact O-CB 3.41Å; T151-L155 PolarHBondContact O-N 3.39Å
152	N	96.4	Very high	96.3	Very high	5 Å²	5	46.5 Å²	46.5	3%	0.027	22%	0.22	C	C	.	.	H	α-helix	trans	-63.2	-37.7	175.3	-80.8	47.5	0	0	0	112.8	R148 L149 K150 L155 L156 R297 I300	R148-N152 PolarHBondContact O-N 3.14Å; R148-N152 VanDerWaalsContact O-N 3.11Å; R148-N152 PolarHBondContact O-OD1 3.06Å; L149-N152 PolarHBondContact O-N 3.12Å; K150-N152 VanDerWaalsContact C-N 3.33Å; K150-N152 PolarHBondContact O-N 3.02Å; N152-L155 PolarHBondContact O-N 3.49Å; N152-L156 WeakPolarHBondContact O-CB 3.16Å; N152-L156 WeakPolarHBondContact O-CG 3.37Å; N152-L156 PolarHBondContact O-N 3.49Å; N152-R297 HydrophobicContact CB-CG 4.44Å; N152-I300 HydrophobicContact CB-CD1 4.27Å; N152-I300 HydrophobicContact CB-CG2 4.38Å
153	I	97.4	Very high	96	Very high	17 Å²	17	46.6 Å²	46.6	9%	0.087	22%	0.22	C	C	.	.	H	α-helix	trans	-63.8	-44.9	174.5	-68.7	166	0	0	0	110.9	L149 K150 T151 L155 L156 N157 V212 A215 E216 L219	L149-I153 HydrophobicContact CG-CD1 4.43Å; L149-I153 WeakPolarHBondContact O-CG1 3.34Å; L149-I153 PolarHBondContact O-N 3.4Å; K150-I153 PolarHBondContact O-N 3.34Å; T151-I153 PolarHBondContact O-N 2.84Å; I153-L155 VanDerWaalsContact C-N 3.32Å; I153-L155 PolarHBondContact O-N 2.86Å; I153-L156 PolarHBondContact O-N 2.84Å; I153-N157 PolarHBondContact O-N 3.44Å; I153-N157 PolarHBondContact O-ND2 3.08Å; I153-N157 VanDerWaalsContact O-ND2 3.13Å; I153-V212 HydrophobicContact CG2-CG1 4.49Å; I153-A215 HydrophobicContact CD1-CB 3.89Å; I153-A215 HydrophobicContact CG1-CB 3.51Å; I153-E216 HydrophobicContact CD1-CG 4.27Å; I153-L219 HydrophobicContact CD1-CD2 4.13Å
154	Q	96	Very high	95.8	Very high	135 Å²	135	47.1 Å²	47.1	63%	0.631	22%	0.219	S	C	*	.	H	α-helix	trans	-60.8	-43.7	175.5	-70.4	173.1	-8.8	0	0	111.1	K150 T151 N157 Y158	K150-Q154 WeakPolarHBondContact O-CG 3.26Å; K150-Q154 PolarHBondContact O-N 3.44Å; T151-Q154 PolarHBondContact O-N 3.11Å; Q154-N157 PolarHBondContact O-N 2.83Å; Q154-Y158 WeakPolarHBondContact O-CB 3.47Å; Q154-Y158 PolarHBondContact O-N 3.19Å
155	L	94.8	Very high	95.4	Very high	33 Å²	33	47.5 Å²	47.5	17%	0.173	22%	0.219	C	C	.	.	H	α-helix	trans	-61.5	-43.9	176.9	-177.9	64.9	0	0	0	111.9	T151 N152 I153 Y158 N159 L304 I466	T151-L155 WeakPolarHBondContact O-CB 3.41Å; T151-L155 PolarHBondContact O-N 3.39Å; N152-L155 PolarHBondContact O-N 3.49Å; I153-L155 VanDerWaalsContact C-N 3.32Å; I153-L155 PolarHBondContact O-N 2.86Å; L155-Y158 PolarHBondContact O-N 2.9Å; L155-N159 WeakPolarHBondContact CD1-ND2 3.47Å; L155-N159 WeakPolarHBondContact O-CB 3.39Å; L155-N159 PolarHBondContact O-N 3.16Å; L155-N159 PolarHBondContact O-ND2 2.96Å; L155-L304 HydrophobicContact CD2-CD1 3.89Å; L155-L304 HydrophobicContact CG-CD1 3.93Å; L155-I466 HydrophobicContact CD1-CG2 4.31Å
156	L	96.4	Very high	95.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-57.9	-49.8	175.1	-80.2	168.1	0	0	0	111.3	N152 I153 N159 K160 I208 L211 V212 I300 L304	N152-L156 WeakPolarHBondContact O-CB 3.16Å; N152-L156 WeakPolarHBondContact O-CG 3.37Å; N152-L156 PolarHBondContact O-N 3.49Å; I153-L156 PolarHBondContact O-N 2.84Å; L156-N159 PolarHBondContact O-N 3.29Å; L156-K160 PolarHBondContact O-N 3.48Å; L156-I208 HydrophobicContact CB-CG2 4.05Å; L156-I208 HydrophobicContact CD2-CG1 4.41Å; L156-I208 HydrophobicContact CD2-CG2 4.04Å; L156-I208 WeakPolarHBondContact O-CG2 3.41Å; L156-L211 HydrophobicContact CD1-CB 3.94Å; L156-L211 HydrophobicContact CD2-CB 4Å; L156-L211 HydrophobicContact CD2-CD1 4.1Å; L156-V212 HydrophobicContact CB-CG2 3.64Å; L156-V212 HydrophobicContact CD1-CG2 3.92Å; L156-V212 HydrophobicContact CG-CG2 4.37Å; L156-I300 HydrophobicContact CD1-CD1 3.84Å; L156-I300 HydrophobicContact CD1-CG1 4.04Å; L156-I300 HydrophobicContact CD1-CG2 4.09Å; L156-I300 HydrophobicContact CD2-CG2 3.9Å; L156-I300 HydrophobicContact CG-CG2 3.85Å; L156-L304 HydrophobicContact CD2-CD1 4.21Å; L156-L304 HydrophobicContact CD2-CD2 4.07Å; L156-L304 HydrophobicContact CD2-CG 4.14Å
157	N	95.9	Very high	95	Very high	60 Å²	60	47.6 Å²	47.6	32%	0.321	22%	0.22	S	C	.	.	H	α-helix	trans	-63.1	-43.7	179.4	-75.8	-48	0	0	0	112.1	I153 Q154 N159 K160 D161	I153-N157 PolarHBondContact O-N 3.44Å; I153-N157 PolarHBondContact O-ND2 3.08Å; I153-N157 VanDerWaalsContact O-ND2 3.13Å; Q154-N157 PolarHBondContact O-N 2.83Å; N157-N159 VanDerWaalsContact C-N 3.33Å; N157-N159 PolarHBondContact O-N 3.48Å; N157-K160 VanDerWaalsContact O-CB 3.26Å; N157-K160 WeakPolarHBondContact O-CB 3.33Å; N157-K160 PolarHBondContact O-N 3.25Å; N157-K160 VanDerWaalsContact O-N 3.17Å; N157-D161 PolarHBondContact O-N 2.95Å; N157-D161 VanDerWaalsContact O-N 3.07Å
158	Y	94.4	Very high	94.9	Very high	81 Å²	81	48.3 Å²	48.3	32%	0.318	22%	0.224	S	C	.	.	H	α-helix	trans	-57.8	-45.5	173.9	176.1	-92	0	0	0	111.8	Q154 L155 K160 D161 Y162 D458 L463 I466	Q154-Y158 WeakPolarHBondContact O-CB 3.47Å; Q154-Y158 PolarHBondContact O-N 3.19Å; L155-Y158 PolarHBondContact O-N 2.9Å; Y158-K160 VanDerWaalsContact C-N 3.33Å; Y158-K160 PolarHBondContact O-N 3.33Å; Y158-D161 PolarHBondContact O-N 3.48Å; Y158-Y162 WeakPolarHBondContact O-CB 3.32Å; Y158-Y162 PolarHBondContact O-N 3.29Å; Y158-D458 PolarHBondContact OH-OD2 3.28Å; Y158-L463 HydrophobicContact CD1-CD1 4.22Å; Y158-L463 HydrophobicContact CE1-CD1 3.67Å; Y158-I466 HydrophobicContact CD1-CD1 4.31Å; Y158-I466 HydrophobicContact CE1-CD1 3.68Å
159	N	91.8	Very high	94.8	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-64.1	-37.8	177.2	-84.9	-87.4	0	0	0	112.2	L155 L156 N157 D161 Y162 I163 I208 L304 I308 L463	L155-N159 WeakPolarHBondContact CD1-ND2 3.47Å; L155-N159 WeakPolarHBondContact O-CB 3.39Å; L155-N159 PolarHBondContact O-N 3.16Å; L155-N159 PolarHBondContact O-ND2 2.96Å; L156-N159 PolarHBondContact O-N 3.29Å; N157-N159 VanDerWaalsContact C-N 3.33Å; N157-N159 PolarHBondContact O-N 3.48Å; N159-D161 VanDerWaalsContact C-N 3.32Å; N159-D161 PolarHBondContact O-N 2.92Å; N159-Y162 PolarHBondContact O-N 3.18Å; N159-I163 WeakPolarHBondContact O-CG1 3.5Å; N159-I163 WeakPolarHBondContact O-CG2 3.47Å; N159-I163 PolarHBondContact O-N 3.33Å; N159-I208 HydrophobicContact CB-CD1 4.1Å; N159-L304 HydrophobicContact CB-CD2 3.69Å; N159-I308 WeakPolarHBondContact OD1-CD1 3.47Å; N159-L463 WeakPolarHBondContact OD1-CD2 3.42Å
160	K	94.7	Very high	94.7	Very high	34 Å²	34	44.4 Å²	44.4	15%	0.148	21%	0.21	C	C	.	.	H	α-helix	trans	-57	-47.3	174.8	-162.6	179.5	178.7	173.5	0	111.2	L156 N157 Y158 I163 R164 I205 I208 T209	L156-K160 PolarHBondContact O-N 3.48Å; N157-K160 VanDerWaalsContact O-CB 3.26Å; N157-K160 WeakPolarHBondContact O-CB 3.33Å; N157-K160 PolarHBondContact O-N 3.25Å; N157-K160 VanDerWaalsContact O-N 3.17Å; Y158-K160 VanDerWaalsContact C-N 3.33Å; Y158-K160 PolarHBondContact O-N 3.33Å; K160-I163 WeakPolarHBondContact O-CG1 3.33Å; K160-R164 WeakPolarHBondContact O-CG 3.28Å; K160-R164 PolarHBondContact O-N 3.42Å; K160-I205 HydrophobicContact CG-CG2 4.19Å; K160-I208 HydrophobicContact CB-CD1 4.32Å; K160-I208 HydrophobicContact CB-CG2 3.87Å; K160-I208 HydrophobicContact CD-CG2 4.28Å; K160-I208 HydrophobicContact CG-CG2 4.19Å; K160-T209 WeakPolarHBondContact CE-OG1 3.48Å; K160-T209 PolarHBondContact NZ-OG1 3.36Å
161	D	92	Very high	94.7	Very high	87 Å²	87	46 Å²	46	47%	0.465	22%	0.218	S	C	.	.	H	α-helix	trans	-71.9	-35.2	179.8	-67.1	-23.5	0	0	0	112	N157 Y158 N159 R164	N157-D161 PolarHBondContact O-N 2.95Å; N157-D161 VanDerWaalsContact O-N 3.07Å; Y158-D161 PolarHBondContact O-N 3.48Å; N159-D161 VanDerWaalsContact C-N 3.32Å; N159-D161 PolarHBondContact O-N 2.92Å; D161-R164 PolarHBondContact O-N 3.41Å; D161-R164 IonicContact OD1-CZ 3.97Å; D161-R164 IonicContact OD1-NH1 3.35Å; D161-R164 PolarHBondContact OD1-NH1 3.08Å
162	Y	90.5	Very high	94.7	Very high	12 Å²	12	47.3 Å²	47.3	5%	0.047	22%	0.219	C	C	.	.	H	α-helix	trans	-63	-46.3	176.2	-174.6	-92.2	0	0	0	112.4	Y158 N159 R164 K165 P166 F454 P455 L463	Y158-Y162 WeakPolarHBondContact O-CB 3.32Å; Y158-Y162 PolarHBondContact O-N 3.29Å; N159-Y162 PolarHBondContact O-N 3.18Å; Y162-R164 VanDerWaalsContact C-N 3.3Å; Y162-R164 PolarHBondContact O-N 2.99Å; Y162-K165 PolarHBondContact O-N 3.44Å; Y162-P166 WeakPolarHBondContact O-CD 3.32Å; Y162-F454 HydrophobicContact CD1-CE2 4.12Å; Y162-F454 HydrophobicContact CD1-CZ 4.37Å; Y162-F454 AromaticContact CE1-CE2 3.46Å; Y162-F454 HydrophobicContact CE1-CE2 3.46Å; Y162-F454 VanDerWaalsContact CE1-CE2 3.46Å; Y162-F454 AromaticContact CE1-CZ 3.55Å; Y162-F454 HydrophobicContact CE1-CZ 3.55Å; Y162-F454 HydrophobicContact CE2-CE2 4.37Å; Y162-F454 AromaticContact CZ-CE2 3.6Å; Y162-F454 AromaticContact CZ-CZ 3.99Å; Y162-P455 WeakPolarHBondContact OH-CB 3.22Å; Y162-L463 HydrophobicContact CD1-CB 4.42Å; Y162-L463 HydrophobicContact CD1-CD1 4.37Å; Y162-L463 HydrophobicContact CD1-CD2 3.6Å; Y162-L463 HydrophobicContact CD1-CG 4.38Å; Y162-L463 HydrophobicContact CE1-CB 3.89Å; Y162-L463 HydrophobicContact CE1-CD2 3.69Å; Y162-L463 HydrophobicContact CE1-CG 4.32Å; Y162-L463 HydrophobicContact CE2-CB 4.42Å; Y162-L463 HydrophobicContact CG-CD1 4.3Å; Y162-L463 HydrophobicContact CG-CD2 4.32Å
163	I	92.3	Very high	94.8	Very high	3 Å²	3	47 Å²	47	2%	0.015	22%	0.218	C	C	.	.	H	α-helix	trans	-74.5	-16.9	-178.8	68.6	177.5	0	0	0	113.2	N159 K160 K165 P166 V201 I205 I208 L307 V311	N159-I163 WeakPolarHBondContact O-CG1 3.5Å; N159-I163 WeakPolarHBondContact O-CG2 3.47Å; N159-I163 PolarHBondContact O-N 3.33Å; K160-I163 WeakPolarHBondContact O-CG1 3.33Å; I163-K165 VanDerWaalsContact C-N 3.26Å; I163-K165 PolarHBondContact O-N 3.37Å; I163-P166 WeakPolarHBondContact O-CD 3.39Å; I163-P166 VanDerWaalsContact O-CG 3.23Å; I163-P166 WeakPolarHBondContact O-CG 3.46Å; I163-V201 HydrophobicContact CB-CG1 4.23Å; I163-V201 HydrophobicContact CD1-CG1 4.42Å; I163-V201 HydrophobicContact CG1-CG1 4.2Å; I163-V201 WeakPolarHBondContact O-CG1 3.46Å; I163-I205 HydrophobicContact CD1-CG1 3.71Å; I163-I205 HydrophobicContact CG1-CG1 3.91Å; I163-I208 HydrophobicContact CD1-CD1 3.79Å; I163-L307 HydrophobicContact CD1-CD2 3.99Å; I163-V311 HydrophobicContact CG2-CG2 4.43Å
164	R	93.5	Very high	94.8	Very high	91 Å²	91	47.6 Å²	47.6	34%	0.343	22%	0.22	S	C	.	.	H	α-helix	trans	-63.9	-30.8	172.6	-80.5	169.9	171.5	152.8	-12	113	K160 D161 Y162 L167 E168 I205	K160-R164 WeakPolarHBondContact O-CG 3.28Å; K160-R164 PolarHBondContact O-N 3.42Å; D161-R164 PolarHBondContact O-N 3.41Å; D161-R164 IonicContact OD1-CZ 3.97Å; D161-R164 IonicContact OD1-NH1 3.35Å; D161-R164 PolarHBondContact OD1-NH1 3.08Å; Y162-R164 VanDerWaalsContact C-N 3.3Å; Y162-R164 PolarHBondContact O-N 2.99Å; R164-L167 VanDerWaalsContact O-CB 3.3Å; R164-L167 WeakPolarHBondContact O-CB 3.3Å; R164-L167 PolarHBondContact O-N 3.39Å; R164-L167 VanDerWaalsContact O-N 3.16Å; R164-E168 WeakPolarHBondContact O-CG 3.34Å; R164-E168 PolarHBondContact O-N 2.95Å; R164-I205 HydrophobicContact CG-CD1 3.67Å; R164-I205 HydrophobicContact CG-CG1 4.48Å
165	K	91.3	Very high	94.9	Very high	88 Å²	88	43.4 Å²	43.4	38%	0.383	21%	0.209	S	C	.	.	H	α-helix	trans	-61	-52.1	-179.5	-58.2	-176.3	-179	-178.6	0	113.5	Y162 I163 L167 E168 I169 I456	Y162-K165 PolarHBondContact O-N 3.44Å; I163-K165 VanDerWaalsContact C-N 3.26Å; I163-K165 PolarHBondContact O-N 3.37Å; K165-L167 PolarHBondContact O-N 2.96Å; K165-E168 PolarHBondContact O-N 3.03Å; K165-I169 WeakPolarHBondContact O-CG1 3.49Å; K165-I169 PolarHBondContact O-N 2.95Å; K165-I169 VanDerWaalsContact O-N 3.12Å; K165-I456 HydrophobicContact CD-CD1 3.43Å; K165-I456 VanDerWaalsContact CD-CD1 3.43Å
166	P	92.5	Very high	95	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-65.3	-24.1	175.1	25	-34.5	0	0	0	113.2	Y162 I163 A170 V311 F315 F454	Y162-P166 WeakPolarHBondContact O-CD 3.32Å; I163-P166 WeakPolarHBondContact O-CD 3.39Å; I163-P166 VanDerWaalsContact O-CG 3.23Å; I163-P166 WeakPolarHBondContact O-CG 3.46Å; P166-A170 VanDerWaalsContact O-CB 3.27Å; P166-A170 WeakPolarHBondContact O-CB 3.22Å; P166-A170 PolarHBondContact O-N 3.19Å; P166-V311 HydrophobicContact CG-CG1 4.14Å; P166-F315 HydrophobicContact CB-CD2 4.14Å; P166-F454 HydrophobicContact CB-CD1 4.2Å; P166-F454 HydrophobicContact CB-CD2 4.42Å; P166-F454 HydrophobicContact CB-CE1 4.18Å; P166-F454 HydrophobicContact CB-CE2 4.41Å; P166-F454 HydrophobicContact CB-CG 4.31Å; P166-F454 HydrophobicContact CB-CZ 4.29Å; P166-F454 HydrophobicContact CG-CD2 4.3Å; P166-F454 HydrophobicContact CG-CE1 4.16Å; P166-F454 HydrophobicContact CG-CE2 3.87Å; P166-F454 HydrophobicContact CG-CZ 3.79Å
167	L	95.7	Very high	95.1	Very high	14 Å²	14	43.2 Å²	43.2	7%	0.073	21%	0.208	C	C	.	.	H	α-helix	trans	-65	-51.6	171.4	169.8	68.4	0	0	0	111.3	R164 K165 I169 A170 E171 V198 V201 N202 I205	R164-L167 VanDerWaalsContact O-CB 3.3Å; R164-L167 WeakPolarHBondContact O-CB 3.3Å; R164-L167 PolarHBondContact O-N 3.39Å; R164-L167 VanDerWaalsContact O-N 3.16Å; K165-L167 PolarHBondContact O-N 2.96Å; L167-I169 VanDerWaalsContact C-N 3.27Å; L167-I169 PolarHBondContact O-N 3.13Å; L167-A170 PolarHBondContact O-N 3.42Å; L167-E171 HydrophobicContact CD1-CG 4.07Å; L167-E171 WeakPolarHBondContact O-CG 3.36Å; L167-E171 PolarHBondContact O-N 3.41Å; L167-V198 HydrophobicContact CD1-CB 4.09Å; L167-V198 HydrophobicContact CD1-CG1 3.79Å; L167-V198 HydrophobicContact CD1-CG2 4.07Å; L167-V201 HydrophobicContact CB-CB 4.19Å; L167-V201 HydrophobicContact CB-CG1 3.7Å; L167-V201 HydrophobicContact CD2-CG1 4.32Å; L167-V201 HydrophobicContact CG-CG1 4.48Å; L167-N202 WeakPolarHBondContact CD2-OD1 3.49Å; L167-I205 HydrophobicContact CD2-CD1 3.93Å
168	E	95.7	Very high	95	Very high	120 Å²	120	46.6 Å²	46.6	56%	0.561	22%	0.222	S	C	*	.	H	α-helix	trans	-55.4	-44.9	176.8	-69.1	165.7	-171.9	0	0	111	R164 K165 A170 E171 E172	R164-E168 WeakPolarHBondContact O-CG 3.34Å; R164-E168 PolarHBondContact O-N 2.95Å; K165-E168 PolarHBondContact O-N 3.03Å; E168-A170 PolarHBondContact O-N 2.94Å; E168-E171 PolarHBondContact O-N 3.47Å; E168-E172 WeakPolarHBondContact O-CB 3.48Å; E168-E172 PolarHBondContact O-N 3.1Å
169	I	96	Very high	95.1	Very high	17 Å²	17	48 Å²	48	9%	0.087	23%	0.231	C	C	.	.	H	α-helix	trans	-63.5	-41.9	176.9	-62.1	166.4	0	0	0	111.3	K165 L167 E172 C173 M450 R451 S453 F454	K165-I169 WeakPolarHBondContact O-CG1 3.49Å; K165-I169 PolarHBondContact O-N 2.95Å; K165-I169 VanDerWaalsContact O-N 3.12Å; L167-I169 VanDerWaalsContact C-N 3.27Å; L167-I169 PolarHBondContact O-N 3.13Å; I169-E172 PolarHBondContact O-N 3.22Å; I169-C173 WeakPolarHBondContact O-CB 3.41Å; I169-C173 PolarHBondContact O-N 3Å; I169-C173 PolarHBondContact O-SG 3.02Å; I169-M450 HydrophobicContact CG2-CB 4.36Å; I169-R451 HydrophobicContact CG2-CB 4.33Å; I169-R451 HydrophobicContact CG2-CG 3.42Å; I169-R451 VanDerWaalsContact CG2-CG 3.42Å; I169-S453 WeakPolarHBondContact CD1-OG 3.38Å; I169-F454 HydrophobicContact CD1-CB 3.99Å
170	A	97.2	Very high	95.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66	-41.6	179.6	0	0	0	0	0	111.8	P166 L167 E168 C173 L174 L194 E197 V198	P166-A170 VanDerWaalsContact O-CB 3.27Å; P166-A170 WeakPolarHBondContact O-CB 3.22Å; P166-A170 PolarHBondContact O-N 3.19Å; L167-A170 PolarHBondContact O-N 3.42Å; E168-A170 PolarHBondContact O-N 2.94Å; A170-C173 WeakPolarHBondContact O-CB 3.4Å; A170-C173 PolarHBondContact O-N 2.81Å; A170-L174 WeakPolarHBondContact O-CG 3.21Å; A170-L174 PolarHBondContact O-N 2.73Å; A170-L194 HydrophobicContact CB-CD2 4.08Å; A170-E197 HydrophobicContact CB-CB 4.45Å; A170-E197 HydrophobicContact CB-CG 4.21Å; A170-V198 HydrophobicContact CB-CG2 3.93Å
171	E	97.9	Very high	95.3	Very high	91 Å²	91	51.3 Å²	51.3	43%	0.425	25%	0.246	S	C	.	.	H	α-helix	trans	-64.8	-43.3	175.5	-69.9	176.1	158.7	0	0	111.6	L167 E168 C173 L174 A175 V198	L167-E171 HydrophobicContact CD1-CG 4.07Å; L167-E171 WeakPolarHBondContact O-CG 3.36Å; L167-E171 PolarHBondContact O-N 3.41Å; E168-E171 PolarHBondContact O-N 3.47Å; E171-C173 VanDerWaalsContact C-N 3.31Å; E171-C173 PolarHBondContact O-N 3.29Å; E171-L174 WeakPolarHBondContact O-CB 3.25Å; E171-L174 PolarHBondContact O-N 3.22Å; E171-A175 PolarHBondContact O-N 3.38Å; E171-V198 HydrophobicContact CG-CG2 4.04Å
172	E	97.5	Very high	95.4	Very high	101 Å²	101	50 Å²	50	47%	0.472	25%	0.253	S	S	.	.	H	α-helix	trans	-65.1	-35.8	174.5	-169	179.3	176.8	0	0	111.8	E168 I169 N176 M450	E168-E172 WeakPolarHBondContact O-CB 3.48Å; E168-E172 PolarHBondContact O-N 3.1Å; I169-E172 PolarHBondContact O-N 3.22Å; E172-N176 VanDerWaalsContact O-CB 3.24Å; E172-N176 WeakPolarHBondContact O-CB 3.46Å; E172-N176 PolarHBondContact O-N 3.44Å; E172-N176 PolarHBondContact O-ND2 2.87Å; E172-M450 HydrophobicContact CB-CE 4.44Å; E172-M450 HydrophobicContact CG-CE 4.05Å; E172-M450 HydrophobicContact CG-SD 3.94Å; E172-M450 VanDerWaalsContact OE1-SD 3.34Å
173	C	97.8	Very high	95.5	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-63.8	-42	172.7	-70.9	0	0	0	0	111.8	I169 A170 E171 N176 R177 L194 C447	I169-C173 WeakPolarHBondContact O-CB 3.41Å; I169-C173 PolarHBondContact O-N 3Å; I169-C173 PolarHBondContact O-SG 3.02Å; A170-C173 WeakPolarHBondContact O-CB 3.4Å; A170-C173 PolarHBondContact O-N 2.81Å; E171-C173 VanDerWaalsContact C-N 3.31Å; E171-C173 PolarHBondContact O-N 3.29Å; C173-N176 PolarHBondContact O-N 3.45Å; C173-R177 WeakPolarHBondContact O-CB 3.48Å; C173-R177 VanDerWaalsContact O-CG 3.25Å; C173-R177 WeakPolarHBondContact O-CG 3.38Å; C173-R177 PolarHBondContact O-N 3.48Å; C173-L194 HydrophobicContact CB-CD1 3.86Å; C173-L194 HydrophobicContact CB-CD2 3.74Å; C173-L194 HydrophobicContact CB-CG 4.5Å; C173-C447 HydrophobicContact CB-CB 4.2Å
174	L	97.8	Very high	95.6	Very high	28 Å²	28	55.6 Å²	55.6	15%	0.147	28%	0.283	C	S	.	.	H	α-helix	trans	-61.9	-52	175.4	-72.4	166.6	0	0	0	110.7	A170 E171 N176 R177 E178 E191 L194 V198	A170-L174 WeakPolarHBondContact O-CG 3.21Å; A170-L174 PolarHBondContact O-N 2.73Å; E171-L174 WeakPolarHBondContact O-CB 3.25Å; E171-L174 PolarHBondContact O-N 3.22Å; L174-N176 VanDerWaalsContact C-N 3.28Å; L174-N176 PolarHBondContact O-N 2.91Å; L174-R177 WeakPolarHBondContact O-CA 3.33Å; L174-R177 WeakPolarHBondContact O-CB 3.37Å; L174-R177 PolarHBondContact O-N 3.36Å; L174-E178 PolarHBondContact O-N 3.41Å; L174-E178 VanDerWaalsContact O-N 3.08Å; L174-E191 WeakPolarHBondContact CD2-OE1 3.4Å; L174-L194 HydrophobicContact CD1-CB 4.3Å; L174-L194 HydrophobicContact CD2-CB 3.57Å; L174-L194 HydrophobicContact CD2-CD1 3.93Å; L174-L194 HydrophobicContact CD2-CG 4.39Å; L174-L194 HydrophobicContact CG-CB 3.83Å; L174-L194 HydrophobicContact CG-CD1 4.13Å; L174-V198 HydrophobicContact CD1-CG2 3.9Å
175	A	97.4	Very high	95.6	Very high	47 Å²	47	57.8 Å²	57.8	39%	0.388	30%	0.297	S	S	.	.	H	α-helix	trans	-58.5	-38.7	178.3	0	0	0	0	0	112.6	E171 R177 E178	E171-A175 PolarHBondContact O-N 3.38Å; A175-R177 VanDerWaalsContact C-N 3.32Å; A175-R177 PolarHBondContact O-N 3.2Å; A175-E178 PolarHBondContact O-N 3.45Å
176	N	97.5	Very high	95.7	Very high	22 Å²	22	56.7 Å²	56.7	12%	0.118	30%	0.297	C	S	.	.	H	α-helix	trans	-66.4	-33.7	174.8	-80.1	-40.1	0	0	0	112.8	E172 C173 L174 Q179 I443 R446 M450	E172-N176 VanDerWaalsContact O-CB 3.24Å; E172-N176 WeakPolarHBondContact O-CB 3.46Å; E172-N176 PolarHBondContact O-N 3.44Å; E172-N176 PolarHBondContact O-ND2 2.87Å; C173-N176 PolarHBondContact O-N 3.45Å; L174-N176 VanDerWaalsContact C-N 3.28Å; L174-N176 PolarHBondContact O-N 2.91Å; N176-Q179 WeakPolarHBondContact O-CB 3.35Å; N176-Q179 PolarHBondContact O-N 2.93Å; N176-I443 HydrophobicContact CB-CG2 4.37Å; N176-I443 WeakPolarHBondContact O-CG2 3.29Å; N176-R446 PolarHBondContact OD1-NH2 3.22Å; N176-M450 WeakPolarHBondContact ND2-CE 3.28Å
177	R	97.2	Very high	95.7	Very high	7 Å²	7	64.9 Å²	64.9	3%	0.026	33%	0.333	C	S	.	.	H	α-helix	trans	-77.1	-22.3	179.5	-75.2	176.9	59.6	90.5	7.3	113.5	C173 L174 A175 Q179 R180 D188 E191 I443 D444	C173-R177 WeakPolarHBondContact O-CB 3.48Å; C173-R177 VanDerWaalsContact O-CG 3.25Å; C173-R177 WeakPolarHBondContact O-CG 3.38Å; C173-R177 PolarHBondContact O-N 3.48Å; L174-R177 WeakPolarHBondContact O-CA 3.33Å; L174-R177 WeakPolarHBondContact O-CB 3.37Å; L174-R177 PolarHBondContact O-N 3.36Å; A175-R177 VanDerWaalsContact C-N 3.32Å; A175-R177 PolarHBondContact O-N 3.2Å; R177-Q179 PolarHBondContact O-N 3.41Å; R177-R180 VanDerWaalsContact CZ-CZ 3.5Å; R177-R180 VanDerWaalsContact NH1-NH2 3.12Å; R177-R180 WeakPolarHBondContact O-CB 3.26Å; R177-R180 WeakPolarHBondContact O-CD 3.41Å; R177-R180 VanDerWaalsContact O-CG 3.22Å; R177-R180 WeakPolarHBondContact O-CG 3.33Å; R177-R180 PolarHBondContact O-N 2.77Å; R177-D188 IonicContact CZ-OD1 3.73Å; R177-D188 IonicContact CZ-OD2 2.69Å; R177-D188 IonicContact NH1-OD2 3.06Å; R177-D188 IonicContact NH2-OD1 2.64Å; R177-D188 PolarHBondContact NH2-OD1 3.41Å; R177-D188 IonicContact NH2-OD2 3.51Å; R177-D188 PolarHBondContact NH2-OD2 3.4Å; R177-E191 IonicContact NE-OE2 3.47Å; R177-I443 HydrophobicContact CG-CG2 4.04Å; R177-D444 IonicContact CZ-OD1 3.54Å; R177-D444 IonicContact NH1-OD1 2.64Å; R177-D444 PolarHBondContact NH1-OD1 2.9Å; R177-D444 IonicContact NH1-OD2 3.47Å; R177-D444 PolarHBondContact NH1-OD2 3.47Å
178	E	95.6	Very high	95.7	Very high	132 Å²	132	64.9 Å²	64.9	62%	0.617	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-18.8	168	-65.7	178	163.7	0	0	112.5	L174 A175 R180	L174-E178 PolarHBondContact O-N 3.41Å; L174-E178 VanDerWaalsContact O-N 3.08Å; A175-E178 PolarHBondContact O-N 3.45Å; E178-R180 PolarHBondContact O-N 3.05Å
179	Q	96.5	Very high	95.8	Very high	111 Å²	111	62.1 Å²	62.1	52%	0.519	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	10.3	177.1	-53.9	-58.1	-47	0	0	113.7	N176 R177 H181 N439 I443	N176-Q179 WeakPolarHBondContact O-CB 3.35Å; N176-Q179 PolarHBondContact O-N 2.93Å; R177-Q179 PolarHBondContact O-N 3.41Å; Q179-H181 PolarHBondContact O-CE1 3Å; Q179-H181 PolarHBondContact O-ND1 2.63Å; Q179-N439 PolarHBondContact O-OD1 2.87Å; Q179-I443 HydrophobicContact CB-CD1 4.08Å; Q179-I443 WeakPolarHBondContact O-CD1 3.32Å
180	R	96.8	Very high	95.9	Very high	7 Å²	7	61.3 Å²	61.3	3%	0.026	32%	0.318	C	S	.	.			trans	-76.3	156.2	171.2	-70.4	169.8	173.9	-131.3	-22.5	109.8	R177 E178 E185 D188 S440 I443 D444	R177-R180 VanDerWaalsContact CZ-CZ 3.5Å; R177-R180 VanDerWaalsContact NH1-NH2 3.12Å; R177-R180 WeakPolarHBondContact O-CB 3.26Å; R177-R180 WeakPolarHBondContact O-CD 3.41Å; R177-R180 VanDerWaalsContact O-CG 3.22Å; R177-R180 WeakPolarHBondContact O-CG 3.33Å; R177-R180 PolarHBondContact O-N 2.77Å; E178-R180 PolarHBondContact O-N 3.05Å; R180-E185 HydrophobicContact CB-CB 4.45Å; R180-D188 IonicContact NH1-OD2 3.64Å; R180-S440 PolarHBondContact NH2-O 2.94Å; R180-I443 HydrophobicContact CG-CD1 3.78Å; R180-D444 IonicContact CZ-OD1 3.7Å; R180-D444 IonicContact CZ-OD2 2.75Å; R180-D444 IonicContact NH2-OD1 3.34Å; R180-D444 PolarHBondContact NH2-OD1 2.98Å; R180-D444 IonicContact NH2-OD2 3.95Å; R180-D444 PolarHBondContact NH2-OD2 2.93Å
181	H	93.3	Very high	95.9	Very high	99 Å²	99	63.5 Å²	63.5	46%	0.458	33%	0.328	S	S	.	.			trans	-119	149.2	-173.4	-57.2	89.8	0	0	0	112	Q179 I183 D184 T436 N439	Q179-H181 PolarHBondContact O-CE1 3Å; Q179-H181 PolarHBondContact O-ND1 2.63Å; H181-I183 PolarHBondContact O-N 2.85Å; H181-D184 PolarHBondContact O-N 3.45Å; H181-T436 WeakPolarHBondContact O-CG2 3.27Å; H181-N439 PolarHBondContact ND1-OD1 3.4Å
182	G	92.8	Very high	95.9	Very high	59 Å²	59	66.1 Å²	66.1	61%	0.608	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	59.7	-133.9	170	0	0	0	0	0	112.9	D184 E185	G182-D184 PolarHBondContact O-N 3.27Å; G182-E185 PolarHBondContact O-N 2.98Å
183	I	93	Very high	95.9	Very high	127 Å²	127	61.7 Å²	61.7	65%	0.651	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-68.6	-16.5	-175	-163.8	58.2	0	0	0	113.8	H181 E185	H181-I183 PolarHBondContact O-N 2.85Å; I183-E185 VanDerWaalsContact C-N 3.32Å
184	D	95.6	Very high	95.9	Very high	7 Å²	7	61.7 Å²	61.7	4%	0.037	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-82.3	-12.4	179.7	-72.1	6	0	0	0	113	H181 G182 V186 T436 K437 S440	H181-D184 PolarHBondContact O-N 3.45Å; G182-D184 PolarHBondContact O-N 3.27Å; D184-V186 PolarHBondContact O-N 3.44Å; D184-T436 HydrophobicContact CB-CG2 4.29Å; D184-K437 VanDerWaalsContact OD1-CE 3.27Å; D184-K437 WeakPolarHBondContact OD1-CE 3.32Å; D184-K437 IonicContact OD1-NZ 2.93Å; D184-K437 PolarHBondContact OD1-NZ 2.92Å; D184-K437 WeakPolarHBondContact OD2-CD 3.49Å; D184-K437 IonicContact OD2-NZ 2.75Å; D184-K437 PolarHBondContact OD2-NZ 2.85Å; D184-S440 WeakPolarHBondContact CB-OG 3.46Å; D184-S440 WeakPolarHBondContact OD2-CB 3.24Å; D184-S440 PolarHBondContact OD2-OG 2.86Å
185	E	93.4	Very high	95.9	Very high	136 Å²	136	62.5 Å²	62.5	64%	0.636	32%	0.322	S	S	*	.			trans	-73.7	71.8	168.7	-165.5	-165.1	157.5	0	0	109.7	R180 G182 I183	R180-E185 HydrophobicContact CB-CB 4.45Å; G182-E185 PolarHBondContact O-N 2.98Å; I183-E185 VanDerWaalsContact C-N 3.32Å
186	V	93.4	Very high	95.9	Very high	65 Å²	65	65.8 Å²	65.8	39%	0.394	33%	0.328	S	S	.	.			trans	-122.7	141.3	-172.9	59.1	0	0	0	0	111.6	D184 D188	D184-V186 PolarHBondContact O-N 3.44Å; V186-D188 HydrophobicContact CG1-CB 4.01Å; V186-D188 PolarHBondContact O-N 3.24Å
187	K	92.8	Very high	96	Very high	172 Å²	172	64.7 Å²	64.7	75%	0.748	32%	0.322	S	S	*	.			trans	-72.9	68.3	169.6	-63.3	-173	179.3	-177	0	111.1	E191 R192	K187-E191 HydrophobicContact CG-CG 4.47Å; K187-R192 PolarHBondContact O-NH1 3.3Å
188	D	95.6	Very high	96	Very high	14 Å²	14	65.5 Å²	65.5	8%	0.075	33%	0.328	C	S	.	.			trans	-81.7	-167.1	-176.8	65.4	21.2	0	0	0	113.2	R177 R180 V186 V190 E191 R192 R325	R177-D188 IonicContact CZ-OD1 3.73Å; R177-D188 IonicContact CZ-OD2 2.69Å; R177-D188 IonicContact NH1-OD2 3.06Å; R177-D188 IonicContact NH2-OD1 2.64Å; R177-D188 PolarHBondContact NH2-OD1 3.41Å; R177-D188 IonicContact NH2-OD2 3.51Å; R177-D188 PolarHBondContact NH2-OD2 3.4Å; R180-D188 IonicContact NH1-OD2 3.64Å; V186-D188 HydrophobicContact CG1-CB 4.01Å; V186-D188 PolarHBondContact O-N 3.24Å; D188-V190 VanDerWaalsContact C-N 3.26Å; D188-V190 PolarHBondContact O-N 3.05Å; D188-V190 WeakPolarHBondContact OD1-CA 3.33Å; D188-V190 WeakPolarHBondContact OD1-CB 3.43Å; D188-V190 PolarHBondContact OD1-N 2.97Å; D188-E191 PolarHBondContact OD1-N 3.44Å; D188-R192 WeakPolarHBondContact O-CG 3.38Å; D188-R192 PolarHBondContact O-N 2.98Å; D188-R192 PolarHBondContact O-NH1 3.09Å; D188-R325 WeakPolarHBondContact OD2-CD 3.38Å; D188-R325 IonicContact OD2-CZ 3.04Å; D188-R325 IonicContact OD2-NE 2.81Å; D188-R325 PolarHBondContact OD2-NE 3.33Å
189	I	96.3	Very high	96.1	Very high	63 Å²	63	64.4 Å²	64.4	32%	0.323	32%	0.323	S	S	.	.	H	α-helix	trans	-62.8	-32.2	177.8	57.3	170.7	0	0	0	112.7	A193 A321 T324	I189-A193 WeakPolarHBondContact O-CB 3.13Å; I189-A193 PolarHBondContact O-N 3.38Å; I189-A321 HydrophobicContact CD1-CB 4.29Å; I189-A321 HydrophobicContact CG1-CB 4.33Å; I189-T324 HydrophobicContact CD1-CG2 4.17Å
190	V	97.9	Very high	96.2	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-73.5	-46.6	-178.5	-180	0	0	0	0	109.2	D188 R192 A193 L194 A321 L322 R325	D188-V190 VanDerWaalsContact C-N 3.26Å; D188-V190 PolarHBondContact O-N 3.05Å; D188-V190 WeakPolarHBondContact OD1-CA 3.33Å; D188-V190 WeakPolarHBondContact OD1-CB 3.43Å; D188-V190 PolarHBondContact OD1-N 2.97Å; V190-R192 VanDerWaalsContact C-N 3.3Å; V190-R192 PolarHBondContact O-N 3.23Å; V190-A193 PolarHBondContact O-N 3.46Å; V190-A193 VanDerWaalsContact O-N 3.08Å; V190-L194 HydrophobicContact CG1-CD1 3.76Å; V190-L194 HydrophobicContact CG1-CG 4.22Å; V190-L194 WeakPolarHBondContact O-CB 3.4Å; V190-L194 WeakPolarHBondContact O-CG 3.45Å; V190-L194 PolarHBondContact O-N 3.14Å; V190-A321 HydrophobicContact CG2-CB 4.06Å; V190-A321 WeakPolarHBondContact CG2-O 3.39Å; V190-L322 HydrophobicContact CG1-CD2 3.58Å; V190-L322 HydrophobicContact CG1-CG 3.79Å; V190-L322 HydrophobicContact CG2-CD2 4.35Å; V190-L322 HydrophobicContact CG2-CG 4.45Å; V190-R325 HydrophobicContact CG2-CB 3.61Å; V190-R325 HydrophobicContact CG2-CG 4.04Å
191	E	97	Very high	96.2	Very high	45 Å²	45	60.2 Å²	60.2	21%	0.21	31%	0.305	C	S	.	.	H	α-helix	trans	-56.6	-46.1	178.7	-167.2	62	-157.4	0	0	111.7	L174 R177 K187 D188 S195	L174-E191 WeakPolarHBondContact CD2-OE1 3.4Å; R177-E191 IonicContact NE-OE2 3.47Å; K187-E191 HydrophobicContact CG-CG 4.47Å; D188-E191 PolarHBondContact OD1-N 3.44Å; E191-S195 VanDerWaalsContact O-CB 3.32Å; E191-S195 WeakPolarHBondContact O-CB 3.43Å; E191-S195 PolarHBondContact O-N 3.21Å; E191-S195 PolarHBondContact O-OG 3.34Å
192	R	97.9	Very high	96.4	Very high	146 Å²	146	58.4 Å²	58.4	55%	0.551	30%	0.299	S	S	*	.	H	α-helix	trans	-65.6	-40.2	175.8	-69.2	-170.2	-63.8	-88.8	6.4	112.4	K187 D188 V190 K196	K187-R192 PolarHBondContact O-NH1 3.3Å; D188-R192 WeakPolarHBondContact O-CG 3.38Å; D188-R192 PolarHBondContact O-N 2.98Å; D188-R192 PolarHBondContact O-NH1 3.09Å; V190-R192 VanDerWaalsContact C-N 3.3Å; V190-R192 PolarHBondContact O-N 3.23Å; R192-K196 WeakPolarHBondContact O-CB 3.47Å; R192-K196 PolarHBondContact O-N 2.9Å
193	A	98	Very high	96.6	Very high	9 Å²	9	62.6 Å²	62.6	7%	0.074	30%	0.301	C	S	.	.	H	α-helix	trans	-69	-41.9	-179.6	0	0	0	0	0	112.1	I189 V190 K196 E197 Q314 V318 A321	I189-A193 WeakPolarHBondContact O-CB 3.13Å; I189-A193 PolarHBondContact O-N 3.38Å; V190-A193 PolarHBondContact O-N 3.46Å; V190-A193 VanDerWaalsContact O-N 3.08Å; A193-K196 PolarHBondContact O-N 3.21Å; A193-E197 PolarHBondContact O-N 3.49Å; A193-Q314 PolarHBondContact O-NE2 3.31Å; A193-V318 HydrophobicContact CB-CB 4.47Å; A193-V318 HydrophobicContact CB-CG2 3.85Å; A193-V318 WeakPolarHBondContact O-CG2 3.34Å; A193-A321 HydrophobicContact CB-CB 4.24Å
194	L	98.2	Very high	96.8	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63.7	-47.6	173.9	-77.6	169.3	0	0	0	111.3	A170 C173 L174 V190 K196 E197 V198 V318	A170-L194 HydrophobicContact CB-CD2 4.08Å; C173-L194 HydrophobicContact CB-CD1 3.86Å; C173-L194 HydrophobicContact CB-CD2 3.74Å; C173-L194 HydrophobicContact CB-CG 4.5Å; L174-L194 HydrophobicContact CD1-CB 4.3Å; L174-L194 HydrophobicContact CD2-CB 3.57Å; L174-L194 HydrophobicContact CD2-CD1 3.93Å; L174-L194 HydrophobicContact CD2-CG 4.39Å; L174-L194 HydrophobicContact CG-CB 3.83Å; L174-L194 HydrophobicContact CG-CD1 4.13Å; V190-L194 HydrophobicContact CG1-CD1 3.76Å; V190-L194 HydrophobicContact CG1-CG 4.22Å; V190-L194 WeakPolarHBondContact O-CB 3.4Å; V190-L194 WeakPolarHBondContact O-CG 3.45Å; V190-L194 PolarHBondContact O-N 3.14Å; L194-K196 VanDerWaalsContact C-N 3.26Å; L194-K196 PolarHBondContact O-N 3.37Å; L194-E197 WeakPolarHBondContact O-CA 3.4Å; L194-E197 VanDerWaalsContact O-CB 3.29Å; L194-E197 WeakPolarHBondContact O-CB 3.46Å; L194-E197 PolarHBondContact O-N 3.21Å; L194-V198 PolarHBondContact O-N 3.04Å; L194-V318 HydrophobicContact CD2-CG1 3.53Å; L194-V318 HydrophobicContact CG-CG1 3.83Å
195	S	97.9	Very high	96.9	Very high	44 Å²	44	57.1 Å²	57.1	31%	0.308	27%	0.273	S	S	.	.	H	α-helix	trans	-57.3	-41.3	175.9	-66.9	0	0	0	0	111.8	E191 Q199	E191-S195 VanDerWaalsContact O-CB 3.32Å; E191-S195 WeakPolarHBondContact O-CB 3.43Å; E191-S195 PolarHBondContact O-N 3.21Å; E191-S195 PolarHBondContact O-OG 3.34Å; S195-Q199 VanDerWaalsContact O-CG 3.28Å; S195-Q199 WeakPolarHBondContact O-CG 3.5Å; S195-Q199 PolarHBondContact O-N 3.14Å
196	K	98.2	Very high	97.1	Very high	116 Å²	116	55 Å²	55	50%	0.504	27%	0.266	S	S	.	.	H	α-helix	trans	-68.3	-34.3	175.9	-175	178.8	175.4	-165	0	112.3	R192 A193 L194 T200	R192-K196 WeakPolarHBondContact O-CB 3.47Å; R192-K196 PolarHBondContact O-N 2.9Å; A193-K196 PolarHBondContact O-N 3.21Å; L194-K196 VanDerWaalsContact C-N 3.26Å; L194-K196 PolarHBondContact O-N 3.37Å; K196-T200 VanDerWaalsContact O-CB 3.3Å; K196-T200 WeakPolarHBondContact O-CB 3.39Å; K196-T200 PolarHBondContact O-N 3.04Å; K196-T200 PolarHBondContact O-OG1 3.37Å
197	E	98	Very high	97.3	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61	-53.2	173	-170.4	173	-160.3	0	0	111.3	A170 A193 L194 Q199 T200 V201 Q314 F315 V318 R451	A170-E197 HydrophobicContact CB-CB 4.45Å; A170-E197 HydrophobicContact CB-CG 4.21Å; A193-E197 PolarHBondContact O-N 3.49Å; L194-E197 WeakPolarHBondContact O-CA 3.4Å; L194-E197 VanDerWaalsContact O-CB 3.29Å; L194-E197 WeakPolarHBondContact O-CB 3.46Å; L194-E197 PolarHBondContact O-N 3.21Å; E197-Q199 VanDerWaalsContact C-N 3.31Å; E197-Q199 PolarHBondContact O-N 3.46Å; E197-T200 PolarHBondContact O-N 2.87Å; E197-V201 WeakPolarHBondContact O-CG2 3.4Å; E197-V201 PolarHBondContact O-N 3.16Å; E197-Q314 VanDerWaalsContact CA-CG 3.48Å; E197-Q314 HydrophobicContact CB-CG 3.77Å; E197-Q314 HydrophobicContact CG-CG 4.18Å; E197-F315 WeakPolarHBondContact OE1-CA 3.41Å; E197-F315 VanDerWaalsContact OE1-CD2 3.28Å; E197-F315 WeakPolarHBondContact OE1-CD2 3.38Å; E197-V318 HydrophobicContact CB-CG2 4.04Å; E197-V318 WeakPolarHBondContact OE2-CG2 3.49Å; E197-R451 VanDerWaalsContact CD-NH2 3.27Å; E197-R451 IonicContact OE1-CZ 3.68Å; E197-R451 IonicContact OE1-NH1 2.81Å; E197-R451 IonicContact OE1-NH2 3.82Å; E197-R451 PolarHBondContact OE1-NH2 2.96Å; E197-R451 IonicContact OE2-CZ 3.56Å; E197-R451 VanDerWaalsContact OE2-CZ 3.26Å; E197-R451 IonicContact OE2-NH1 3.62Å; E197-R451 PolarHBondContact OE2-NH1 3.33Å; E197-R451 IonicContact OE2-NH2 2.77Å; E197-R451 PolarHBondContact OE2-NH2 3.13Å
198	V	98.3	Very high	97.5	Very high	23 Å²	23	47.2 Å²	47.2	14%	0.139	23%	0.23	C	C	.	.	H	α-helix	trans	-52.9	-48.9	175.4	171.2	0	0	0	0	111	L167 A170 E171 L174 L194 T200 V201 N202	L167-V198 HydrophobicContact CD1-CB 4.09Å; L167-V198 HydrophobicContact CD1-CG1 3.79Å; L167-V198 HydrophobicContact CD1-CG2 4.07Å; A170-V198 HydrophobicContact CB-CG2 3.93Å; E171-V198 HydrophobicContact CG-CG2 4.04Å; L174-V198 HydrophobicContact CD1-CG2 3.9Å; L194-V198 PolarHBondContact O-N 3.04Å; V198-T200 PolarHBondContact O-N 3.1Å; V198-V201 PolarHBondContact O-N 2.85Å; V198-N202 WeakPolarHBondContact O-CB 3.44Å; V198-N202 PolarHBondContact O-N 3.29Å; V198-N202 PolarHBondContact O-ND2 3.16Å
199	Q	97.9	Very high	97.7	Very high	110 Å²	110	48.5 Å²	48.5	51%	0.514	24%	0.238	S	C	.	.	H	α-helix	trans	-62.5	-41	177.8	-71.9	175.1	18.6	0	0	113.2	S195 E197 K203	S195-Q199 VanDerWaalsContact O-CG 3.28Å; S195-Q199 WeakPolarHBondContact O-CG 3.5Å; S195-Q199 PolarHBondContact O-N 3.14Å; E197-Q199 VanDerWaalsContact C-N 3.31Å; E197-Q199 PolarHBondContact O-N 3.46Å; Q199-K203 WeakPolarHBondContact O-CB 3.49Å; Q199-K203 VanDerWaalsContact O-CG 3.25Å; Q199-K203 WeakPolarHBondContact O-CG 3.19Å; Q199-K203 PolarHBondContact O-N 3.44Å
200	T	97.5	Very high	97.8	Very high	29 Å²	29	51.7 Å²	51.7	18%	0.178	25%	0.25	C	C	.	.	H	α-helix	trans	-66.1	-44.7	-179.1	-60.2	0	0	0	0	110.4	K196 E197 V198 G204 V311	K196-T200 VanDerWaalsContact O-CB 3.3Å; K196-T200 WeakPolarHBondContact O-CB 3.39Å; K196-T200 PolarHBondContact O-N 3.04Å; K196-T200 PolarHBondContact O-OG1 3.37Å; E197-T200 PolarHBondContact O-N 2.87Å; V198-T200 PolarHBondContact O-N 3.1Å; T200-G204 PolarHBondContact O-N 2.97Å; T200-V311 HydrophobicContact CG2-CG2 4.47Å
201	V	96.6	Very high	97.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-67.4	-46.2	179	178.3	0	0	0	0	111.2	I163 L167 E197 V198 K203 G204 I205 V311	I163-V201 HydrophobicContact CB-CG1 4.23Å; I163-V201 HydrophobicContact CD1-CG1 4.42Å; I163-V201 HydrophobicContact CG1-CG1 4.2Å; I163-V201 WeakPolarHBondContact O-CG1 3.46Å; L167-V201 HydrophobicContact CB-CB 4.19Å; L167-V201 HydrophobicContact CB-CG1 3.7Å; L167-V201 HydrophobicContact CD2-CG1 4.32Å; L167-V201 HydrophobicContact CG-CG1 4.48Å; E197-V201 WeakPolarHBondContact O-CG2 3.4Å; E197-V201 PolarHBondContact O-N 3.16Å; V198-V201 PolarHBondContact O-N 2.85Å; V201-K203 PolarHBondContact O-N 2.79Å; V201-G204 CarbonylContact O-C 3.5Å; V201-G204 VanDerWaalsContact O-CA 3.29Å; V201-G204 WeakPolarHBondContact O-CA 3.38Å; V201-G204 PolarHBondContact O-N 3.47Å; V201-I205 HydrophobicContact CG1-CD1 3.92Å; V201-I205 HydrophobicContact CG1-CG1 4.24Å; V201-I205 WeakPolarHBondContact O-CG1 3.42Å; V201-I205 PolarHBondContact O-N 3.36Å; V201-V311 HydrophobicContact CG2-CG1 4.07Å; V201-V311 HydrophobicContact CG2-CG2 4.07Å
202	N	98.1	Very high	97.9	Very high	62 Å²	62	50.8 Å²	50.8	33%	0.332	25%	0.246	S	C	.	.	H	α-helix	trans	-60	-44.1	178.3	-79.5	-35.2	0	0	0	112.3	L167 V198 G204 I205 D206	L167-N202 WeakPolarHBondContact CD2-OD1 3.49Å; V198-N202 WeakPolarHBondContact O-CB 3.44Å; V198-N202 PolarHBondContact O-N 3.29Å; V198-N202 PolarHBondContact O-ND2 3.16Å; N202-G204 PolarHBondContact O-N 3.17Å; N202-I205 PolarHBondContact O-N 2.92Å; N202-D206 PolarHBondContact O-N 3.42Å
203	K	97.5	Very high	97.9	Very high	147 Å²	147	47.7 Å²	47.7	64%	0.639	24%	0.241	S	C	*	.	H	α-helix	trans	-58.9	-36.1	172	-74	174	-178.1	177.1	0	112.2	Q199 V201 L207	Q199-K203 WeakPolarHBondContact O-CB 3.49Å; Q199-K203 VanDerWaalsContact O-CG 3.25Å; Q199-K203 WeakPolarHBondContact O-CG 3.19Å; Q199-K203 PolarHBondContact O-N 3.44Å; V201-K203 PolarHBondContact O-N 2.79Å; K203-L207 WeakPolarHBondContact O-CB 3.44Å; K203-L207 PolarHBondContact O-N 3.03Å
204	G	97	Very high	97.9	Very high	2 Å²	2	53.4 Å²	53.4	2%	0.021	26%	0.264	C	S	.	.	H	α-helix	trans	-64.9	-46.7	173.8	0	0	0	0	0	113.8	T200 V201 N202 D206 L207 I208	T200-G204 PolarHBondContact O-N 2.97Å; V201-G204 CarbonylContact O-C 3.5Å; V201-G204 VanDerWaalsContact O-CA 3.29Å; V201-G204 WeakPolarHBondContact O-CA 3.38Å; V201-G204 PolarHBondContact O-N 3.47Å; N202-G204 PolarHBondContact O-N 3.17Å; G204-D206 VanDerWaalsContact C-N 3.3Å; G204-D206 PolarHBondContact O-N 3.24Å; G204-L207 WeakPolarHBondContact O-CB 3.44Å; G204-L207 PolarHBondContact O-N 2.74Å; G204-I208 WeakPolarHBondContact O-CG1 3.37Å; G204-I208 PolarHBondContact O-N 3.31Å
205	I	97.3	Very high	97.9	Very high	17 Å²	17	53.4 Å²	53.4	9%	0.087	26%	0.264	C	S	.	.	H	α-helix	trans	-60.3	-42.2	176.5	-67.7	171.7	0	0	0	110.3	K160 I163 R164 L167 V201 N202 I208 T209	K160-I205 HydrophobicContact CG-CG2 4.19Å; I163-I205 HydrophobicContact CD1-CG1 3.71Å; I163-I205 HydrophobicContact CG1-CG1 3.91Å; R164-I205 HydrophobicContact CG-CD1 3.67Å; R164-I205 HydrophobicContact CG-CG1 4.48Å; L167-I205 HydrophobicContact CD2-CD1 3.93Å; V201-I205 HydrophobicContact CG1-CD1 3.92Å; V201-I205 HydrophobicContact CG1-CG1 4.24Å; V201-I205 WeakPolarHBondContact O-CG1 3.42Å; V201-I205 PolarHBondContact O-N 3.36Å; N202-I205 PolarHBondContact O-N 2.92Å; I205-I208 PolarHBondContact O-N 3.01Å; I205-T209 WeakPolarHBondContact O-CB 3.41Å; I205-T209 PolarHBondContact O-N 3.09Å; I205-T209 PolarHBondContact O-OG1 2.93Å
206	D	97.9	Very high	98	Very high	91 Å²	91	55.2 Å²	55.2	49%	0.487	27%	0.268	S	S	.	.	H	α-helix	trans	-64.1	-43.2	176	-72.7	-15.9	0	0	0	112.1	N202 G204 T209 K210	N202-D206 PolarHBondContact O-N 3.42Å; G204-D206 VanDerWaalsContact C-N 3.3Å; G204-D206 PolarHBondContact O-N 3.24Å; D206-T209 PolarHBondContact O-N 3.47Å; D206-K210 WeakPolarHBondContact O-CG 3.26Å; D206-K210 PolarHBondContact O-N 3.3Å
207	L	97.9	Very high	98	Very high	73 Å²	73	54.4 Å²	54.4	38%	0.382	27%	0.268	S	S	.	.	H	α-helix	trans	-60.3	-48.4	176.2	176.2	63.1	0	0	0	111	K203 G204 T209 K210 L211 A303	K203-L207 WeakPolarHBondContact O-CB 3.44Å; K203-L207 PolarHBondContact O-N 3.03Å; G204-L207 WeakPolarHBondContact O-CB 3.44Å; G204-L207 PolarHBondContact O-N 2.74Å; L207-T209 VanDerWaalsContact C-N 3.33Å; L207-T209 PolarHBondContact O-N 2.87Å; L207-K210 PolarHBondContact O-N 3.18Å; L207-L211 HydrophobicContact CD1-CD1 4.33Å; L207-L211 HydrophobicContact CD1-CG 4.48Å; L207-L211 HydrophobicContact CG-CD1 4.21Å; L207-L211 WeakPolarHBondContact O-CG 3.34Å; L207-L211 PolarHBondContact O-N 2.96Å; L207-A303 HydrophobicContact CD2-CB 4.31Å
208	I	97.7	Very high	98	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-60.3	-45.3	177.7	-70.1	174	0	0	0	110.5	L156 N159 K160 I163 G204 I205 K210 L211 V212 L304 L307	L156-I208 HydrophobicContact CB-CG2 4.05Å; L156-I208 HydrophobicContact CD2-CG1 4.41Å; L156-I208 HydrophobicContact CD2-CG2 4.04Å; L156-I208 WeakPolarHBondContact O-CG2 3.41Å; N159-I208 HydrophobicContact CB-CD1 4.1Å; K160-I208 HydrophobicContact CB-CD1 4.32Å; K160-I208 HydrophobicContact CB-CG2 3.87Å; K160-I208 HydrophobicContact CD-CG2 4.28Å; K160-I208 HydrophobicContact CG-CG2 4.19Å; I163-I208 HydrophobicContact CD1-CD1 3.79Å; G204-I208 WeakPolarHBondContact O-CG1 3.37Å; G204-I208 PolarHBondContact O-N 3.31Å; I205-I208 PolarHBondContact O-N 3.01Å; I208-K210 VanDerWaalsContact C-N 3.34Å; I208-K210 PolarHBondContact O-N 3.47Å; I208-L211 WeakPolarHBondContact O-CB 3.48Å; I208-L211 PolarHBondContact O-N 3.19Å; I208-L211 VanDerWaalsContact O-N 3.07Å; I208-V212 HydrophobicContact CG2-CG2 4.24Å; I208-V212 WeakPolarHBondContact O-CG2 3.49Å; I208-V212 PolarHBondContact O-N 2.96Å; I208-L304 HydrophobicContact CD1-CD2 4.22Å; I208-L304 HydrophobicContact CG1-CD2 4.28Å; I208-L307 HydrophobicContact CD1-CD2 3.6Å; I208-L307 HydrophobicContact CG1-CD2 3.76Å
209	T	98.2	Very high	98	Very high	40 Å²	40	55.1 Å²	55.1	25%	0.245	27%	0.27	C	S	.	.	H	α-helix	trans	-58.1	-46.8	179.6	-55.7	0	0	0	0	111.2	K160 I205 D206 L207 L211 V212 D213	K160-T209 WeakPolarHBondContact CE-OG1 3.48Å; K160-T209 PolarHBondContact NZ-OG1 3.36Å; I205-T209 WeakPolarHBondContact O-CB 3.41Å; I205-T209 PolarHBondContact O-N 3.09Å; I205-T209 PolarHBondContact O-OG1 2.93Å; D206-T209 PolarHBondContact O-N 3.47Å; L207-T209 VanDerWaalsContact C-N 3.33Å; L207-T209 PolarHBondContact O-N 2.87Å; T209-L211 VanDerWaalsContact C-N 3.28Å; T209-L211 PolarHBondContact O-N 3.03Å; T209-V212 PolarHBondContact O-N 3.04Å; T209-D213 VanDerWaalsContact O-CG 3.3Å; T209-D213 PolarHBondContact O-N 2.81Å
210	K	98.4	Very high	98.1	Very high	130 Å²	130	56.3 Å²	56.3	57%	0.565	27%	0.274	S	S	*	.	H	α-helix	trans	-62.4	-34.1	176	-70.5	168.9	-177.4	170.7	0	113.1	D206 L207 I208 K214	D206-K210 WeakPolarHBondContact O-CG 3.26Å; D206-K210 PolarHBondContact O-N 3.3Å; L207-K210 PolarHBondContact O-N 3.18Å; I208-K210 VanDerWaalsContact C-N 3.34Å; I208-K210 PolarHBondContact O-N 3.47Å; K210-K214 VanDerWaalsContact O-CG 3.29Å; K210-K214 WeakPolarHBondContact O-CG 3.29Å; K210-K214 PolarHBondContact O-N 3.47Å
211	L	98.4	Very high	98.1	Very high	17 Å²	17	58.5 Å²	58.5	9%	0.089	28%	0.284	C	S	.	.	H	α-helix	trans	-72.2	-39	176.5	-72.9	172.4	0	0	0	111.8	L156 L207 I208 T209 K214 A215 I300 A303	L156-L211 HydrophobicContact CD1-CB 3.94Å; L156-L211 HydrophobicContact CD2-CB 4Å; L156-L211 HydrophobicContact CD2-CD1 4.1Å; L207-L211 HydrophobicContact CD1-CD1 4.33Å; L207-L211 HydrophobicContact CD1-CG 4.48Å; L207-L211 HydrophobicContact CG-CD1 4.21Å; L207-L211 WeakPolarHBondContact O-CG 3.34Å; L207-L211 PolarHBondContact O-N 2.96Å; I208-L211 WeakPolarHBondContact O-CB 3.48Å; I208-L211 PolarHBondContact O-N 3.19Å; I208-L211 VanDerWaalsContact O-N 3.07Å; T209-L211 VanDerWaalsContact C-N 3.28Å; T209-L211 PolarHBondContact O-N 3.03Å; L211-K214 PolarHBondContact O-N 2.75Å; L211-A215 VanDerWaalsContact O-CB 3.31Å; L211-A215 WeakPolarHBondContact O-CB 3.32Å; L211-A215 PolarHBondContact O-N 3.36Å; L211-I300 HydrophobicContact CB-CG1 4.43Å; L211-I300 HydrophobicContact CD2-CG1 4.26Å; L211-A303 HydrophobicContact CD1-CB 3.74Å
212	V	98.4	Very high	98.2	Very high	9 Å²	9	58.5 Å²	58.5	6%	0.055	28%	0.284	C	S	.	.	H	α-helix	trans	-59.6	-50.2	173	171.4	0	0	0	0	109.9	I153 L156 I208 T209 K214 A215 E216	I153-V212 HydrophobicContact CG2-CG1 4.49Å; L156-V212 HydrophobicContact CB-CG2 3.64Å; L156-V212 HydrophobicContact CD1-CG2 3.92Å; L156-V212 HydrophobicContact CG-CG2 4.37Å; I208-V212 HydrophobicContact CG2-CG2 4.24Å; I208-V212 WeakPolarHBondContact O-CG2 3.49Å; I208-V212 PolarHBondContact O-N 2.96Å; T209-V212 PolarHBondContact O-N 3.04Å; V212-K214 VanDerWaalsContact C-N 3.31Å; V212-K214 PolarHBondContact O-N 2.93Å; V212-A215 PolarHBondContact O-N 3.2Å; V212-A215 VanDerWaalsContact O-N 3.08Å; V212-E216 HydrophobicContact CG1-CG 4.25Å; V212-E216 WeakPolarHBondContact O-CG 3.43Å; V212-E216 PolarHBondContact O-N 3.31Å
213	D	98.4	Very high	98.3	Very high	82 Å²	82	60.7 Å²	60.7	44%	0.439	29%	0.287	S	S	.	.	H	α-helix	trans	-57.1	-45.3	179.5	-63.5	-23.8	0	0	0	111.8	T209 E216 I217	T209-D213 VanDerWaalsContact O-CG 3.3Å; T209-D213 PolarHBondContact O-N 2.81Å; D213-E216 PolarHBondContact O-N 3.49Å; D213-I217 WeakPolarHBondContact O-CD1 3.42Å; D213-I217 VanDerWaalsContact O-CG1 3.26Å; D213-I217 WeakPolarHBondContact O-CG1 3.37Å; D213-I217 PolarHBondContact O-N 3.4Å
214	K	98.5	Very high	98.3	Very high	128 Å²	128	56.6 Å²	56.6	56%	0.557	28%	0.277	S	S	*	.	H	α-helix	trans	-62.5	-42.8	176.5	-75.1	176.9	-179.5	-175.8	0	112.1	K210 L211 V212 I217 Q218 L296	K210-K214 VanDerWaalsContact O-CG 3.29Å; K210-K214 WeakPolarHBondContact O-CG 3.29Å; K210-K214 PolarHBondContact O-N 3.47Å; L211-K214 PolarHBondContact O-N 2.75Å; V212-K214 VanDerWaalsContact C-N 3.31Å; V212-K214 PolarHBondContact O-N 2.93Å; K214-I217 PolarHBondContact O-N 3.5Å; K214-Q218 WeakPolarHBondContact O-CB 3.49Å; K214-Q218 PolarHBondContact O-N 3.03Å; K214-L296 HydrophobicContact CB-CD1 4.37Å; K214-L296 HydrophobicContact CB-CD2 4.39Å
215	A	98.6	Very high	98.4	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-68	-38.9	179.4	0	0	0	0	0	111.9	L149 I153 L211 V212 Q218 L219 L296 I300	L149-A215 HydrophobicContact CD1-CB 3.97Å; L149-A215 WeakPolarHBondContact CD2-O 3.41Å; I153-A215 HydrophobicContact CD1-CB 3.89Å; I153-A215 HydrophobicContact CG1-CB 3.51Å; L211-A215 VanDerWaalsContact O-CB 3.31Å; L211-A215 WeakPolarHBondContact O-CB 3.32Å; L211-A215 PolarHBondContact O-N 3.36Å; V212-A215 PolarHBondContact O-N 3.2Å; V212-A215 VanDerWaalsContact O-N 3.08Å; A215-Q218 PolarHBondContact O-N 2.9Å; A215-L219 WeakPolarHBondContact O-CB 2.82Å; A215-L219 PolarHBondContact O-N 3.04Å; A215-L296 HydrophobicContact CB-CD2 4.15Å; A215-I300 HydrophobicContact CB-CD1 4.26Å
216	E	98.5	Very high	98.4	Very high	83 Å²	83	57.8 Å²	57.8	39%	0.388	28%	0.283	S	S	.	.	H	α-helix	trans	-65.7	-39.8	174.9	-72.6	-173.8	175.6	0	0	112.4	I153 V212 D213 L219 K220	I153-E216 HydrophobicContact CD1-CG 4.27Å; V212-E216 HydrophobicContact CG1-CG 4.25Å; V212-E216 WeakPolarHBondContact O-CG 3.43Å; V212-E216 PolarHBondContact O-N 3.31Å; D213-E216 PolarHBondContact O-N 3.49Å; E216-L219 PolarHBondContact O-N 3.04Å; E216-K220 WeakPolarHBondContact O-CG 3.26Å; E216-K220 PolarHBondContact O-N 3.33Å
217	I	98.6	Very high	98.5	Very high	99 Å²	99	58.6 Å²	58.6	51%	0.508	29%	0.287	S	S	.	.	H	α-helix	trans	-62.5	-47.8	172.9	-68.5	165.3	0	0	0	109.9	D213 K214 L219 K220 L221	D213-I217 WeakPolarHBondContact O-CD1 3.42Å; D213-I217 VanDerWaalsContact O-CG1 3.26Å; D213-I217 WeakPolarHBondContact O-CG1 3.37Å; D213-I217 PolarHBondContact O-N 3.4Å; K214-I217 PolarHBondContact O-N 3.5Å; I217-L219 VanDerWaalsContact C-N 3.29Å; I217-L219 PolarHBondContact O-N 2.85Å; I217-K220 WeakPolarHBondContact O-CB 3.47Å; I217-K220 PolarHBondContact O-N 3.1Å; I217-K220 VanDerWaalsContact O-N 3.11Å; I217-L221 HydrophobicContact CG2-CD1 4.36Å; I217-L221 WeakPolarHBondContact O-CG 3.11Å; I217-L221 PolarHBondContact O-N 2.81Å
218	Q	98.7	Very high	98.5	Very high	23 Å²	23	58.6 Å²	58.6	11%	0.107	29%	0.285	C	S	.	.	H	α-helix	trans	-61.3	-38.5	178.6	-172.4	58.9	50.6	0	0	111.9	L149 K214 A215 K220 L221 L222 Q289 L296	L149-Q218 HydrophobicContact CD2-CB 3.98Å; L149-Q218 HydrophobicContact CD2-CG 3.99Å; K214-Q218 WeakPolarHBondContact O-CB 3.49Å; K214-Q218 PolarHBondContact O-N 3.03Å; A215-Q218 PolarHBondContact O-N 2.9Å; Q218-K220 VanDerWaalsContact C-N 3.34Å; Q218-K220 PolarHBondContact O-N 3.49Å; Q218-L221 WeakPolarHBondContact O-CB 3.26Å; Q218-L221 PolarHBondContact O-N 3.03Å; Q218-L222 PolarHBondContact O-N 3.15Å; Q218-Q289 PolarHBondContact NE2-O 3.25Å; Q218-L296 HydrophobicContact CB-CD2 3.93Å; Q218-L296 HydrophobicContact CG-CD2 4.32Å
219	L	98.6	Very high	98.5	Very high	15 Å²	15	58.6 Å²	58.6	8%	0.079	29%	0.285	C	S	.	.	H	α-helix	trans	-63.6	-38.2	175.1	-176.8	62	0	0	0	112.1	Q146 L149 K150 I153 A215 E216 I217 R223	Q146-L219 HydrophobicContact CB-CD1 3.85Å; Q146-L219 HydrophobicContact CG-CD1 3.9Å; L149-L219 HydrophobicContact CD2-CB 3.95Å; K150-L219 HydrophobicContact CG-CD1 4.23Å; K150-L219 HydrophobicContact CG-CD2 3.86Å; I153-L219 HydrophobicContact CD1-CD2 4.13Å; A215-L219 WeakPolarHBondContact O-CB 2.82Å; A215-L219 PolarHBondContact O-N 3.04Å; E216-L219 PolarHBondContact O-N 3.04Å; I217-L219 VanDerWaalsContact C-N 3.29Å; I217-L219 PolarHBondContact O-N 2.85Å; L219-R223 WeakPolarHBondContact O-CG 3.44Å; L219-R223 PolarHBondContact O-N 3.41Å; L219-R223 VanDerWaalsContact O-N 3.09Å
220	K	98.6	Very high	98.6	Very high	135 Å²	135	61 Å²	61	59%	0.587	29%	0.294	S	S	*	.	H	α-helix	trans	-64.5	-39.6	173.3	-70.7	169.2	-175.4	170.8	0	111.6	E216 I217 Q218 R223 S224	E216-K220 WeakPolarHBondContact O-CG 3.26Å; E216-K220 PolarHBondContact O-N 3.33Å; I217-K220 WeakPolarHBondContact O-CB 3.47Å; I217-K220 PolarHBondContact O-N 3.1Å; I217-K220 VanDerWaalsContact O-N 3.11Å; Q218-K220 VanDerWaalsContact C-N 3.34Å; Q218-K220 PolarHBondContact O-N 3.49Å; K220-R223 PolarHBondContact O-N 2.93Å; K220-S224 PolarHBondContact O-N 3.08Å
221	L	98.7	Very high	98.6	Very high	74 Å²	74	61 Å²	61	39%	0.387	29%	0.294	S	S	.	.	H	α-helix	trans	-65.3	-44.7	176.9	-66.1	173.3	0	0	0	111.8	I217 Q218 R223 S224 T225	I217-L221 HydrophobicContact CG2-CD1 4.36Å; I217-L221 WeakPolarHBondContact O-CG 3.11Å; I217-L221 PolarHBondContact O-N 2.81Å; Q218-L221 WeakPolarHBondContact O-CB 3.26Å; Q218-L221 PolarHBondContact O-N 3.03Å; L221-R223 PolarHBondContact O-N 3.02Å; L221-S224 WeakPolarHBondContact O-CB 3.41Å; L221-S224 PolarHBondContact O-N 2.59Å; L221-T225 PolarHBondContact O-N 3.3Å; L221-T225 PolarHBondContact O-OG1 2.93Å
222	L	98.8	Very high	98.6	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-56.4	-49.9	174.3	-75.2	169.4	0	0	0	111.4	N142 E145 Q146 L149 Q218 S224 T225 Q226 Q289 R290	N142-L222 PolarHBondContact OD1-O 3.26Å; E145-L222 HydrophobicContact CG-CD1 4.16Å; Q146-L222 HydrophobicContact CG-CB 3.67Å; Q146-L222 HydrophobicContact CG-CD1 3.97Å; Q146-L222 HydrophobicContact CG-CG 4.41Å; L149-L222 HydrophobicContact CD2-CD1 4.04Å; Q218-L222 PolarHBondContact O-N 3.15Å; L222-S224 VanDerWaalsContact C-N 3.31Å; L222-S224 PolarHBondContact O-N 2.91Å; L222-T225 WeakPolarHBondContact CA-OG1 3.37Å; L222-T225 PolarHBondContact O-N 2.89Å; L222-T225 PolarHBondContact O-OG1 3.45Å; L222-Q226 WeakPolarHBondContact O-CB 3.42Å; L222-Q226 PolarHBondContact O-N 3.02Å; L222-Q289 HydrophobicContact CD2-CB 3.79Å; L222-Q289 HydrophobicContact CG-CB 4.49Å; L222-R290 HydrophobicContact CD2-CG 4.11Å
223	R	98.7	Very high	98.6	Very high	109 Å²	109	60.2 Å²	60.2	41%	0.411	29%	0.29	S	S	.	.	H	α-helix	trans	-58.2	-41.3	175.7	-72.2	172.4	-179.3	176.1	1.1	112.8	L219 K220 L221 Q226 N227	L219-R223 WeakPolarHBondContact O-CG 3.44Å; L219-R223 PolarHBondContact O-N 3.41Å; L219-R223 VanDerWaalsContact O-N 3.09Å; K220-R223 PolarHBondContact O-N 2.93Å; L221-R223 PolarHBondContact O-N 3.02Å; R223-Q226 PolarHBondContact O-N 2.85Å; R223-N227 VanDerWaalsContact O-CG 3.22Å; R223-N227 PolarHBondContact O-N 2.74Å; R223-N227 PolarHBondContact O-ND2 3.12Å
224	S	98.5	Very high	98.6	Very high	60 Å²	60	60 Å²	60	42%	0.42	29%	0.292	S	S	.	.	H	α-helix	trans	-61.5	-47.4	176.9	-166.8	0	0	0	0	111.1	K220 L221 L222 N227 E228	K220-S224 PolarHBondContact O-N 3.08Å; L221-S224 WeakPolarHBondContact O-CB 3.41Å; L221-S224 PolarHBondContact O-N 2.59Å; L222-S224 VanDerWaalsContact C-N 3.31Å; L222-S224 PolarHBondContact O-N 2.91Å; S224-N227 PolarHBondContact O-N 2.92Å; S224-E228 PolarHBondContact O-N 3.06Å; S224-E228 VanDerWaalsContact O-N 3.14Å
225	T	98.4	Very high	98.6	Very high	12 Å²	12	58 Å²	58	7%	0.074	29%	0.287	C	S	.	.	H	α-helix	trans	-65.7	-38.3	177.8	51.2	0	0	0	0	112.8	N142 L221 L222 N227 E228 L229 R285 Q289	N142-T225 PolarHBondContact ND2-OG1 2.79Å; N142-T225 VanDerWaalsContact ND2-OG1 3.16Å; L221-T225 PolarHBondContact O-N 3.3Å; L221-T225 PolarHBondContact O-OG1 2.93Å; L222-T225 WeakPolarHBondContact CA-OG1 3.37Å; L222-T225 PolarHBondContact O-N 2.89Å; L222-T225 PolarHBondContact O-OG1 3.45Å; T225-N227 VanDerWaalsContact C-N 3.33Å; T225-N227 PolarHBondContact O-N 3.46Å; T225-E228 PolarHBondContact O-N 3.19Å; T225-L229 WeakPolarHBondContact O-CG 3.38Å; T225-L229 PolarHBondContact O-N 3.33Å; T225-R285 HydrophobicContact CG2-CB 4.47Å; T225-Q289 HydrophobicContact CG2-CB 4.47Å; T225-Q289 HydrophobicContact CG2-CG 3.59Å
226	Q	98.5	Very high	98.5	Very high	32 Å²	32	58.2 Å²	58.2	15%	0.15	29%	0.288	C	S	.	.	H	α-helix	trans	-60.3	-43	174.5	-173.2	-164.4	8.7	0	0	111.4	I139 E143 L222 R223 E228 L229 Q230	I139-Q226 HydrophobicContact CG2-CG 4.31Å; E143-Q226 VanDerWaalsContact CD-NE2 3.35Å; E143-Q226 PolarHBondContact OE1-NE2 3.08Å; L222-Q226 WeakPolarHBondContact O-CB 3.42Å; L222-Q226 PolarHBondContact O-N 3.02Å; R223-Q226 PolarHBondContact O-N 2.85Å; Q226-E228 VanDerWaalsContact C-N 3.34Å; Q226-E228 PolarHBondContact O-N 3.37Å; Q226-L229 PolarHBondContact O-N 3.43Å; Q226-Q230 WeakPolarHBondContact O-CB 3.31Å; Q226-Q230 PolarHBondContact O-N 2.93Å
227	N	98.5	Very high	98.5	Very high	109 Å²	109	57.5 Å²	57.5	58%	0.583	29%	0.286	S	S	*	.	H	α-helix	trans	-62.6	-39.8	176.7	-70.5	-23.4	0	0	0	112.2	R223 S224 T225 Q230 K231	R223-N227 VanDerWaalsContact O-CG 3.22Å; R223-N227 PolarHBondContact O-N 2.74Å; R223-N227 PolarHBondContact O-ND2 3.12Å; S224-N227 PolarHBondContact O-N 2.92Å; T225-N227 VanDerWaalsContact C-N 3.33Å; T225-N227 PolarHBondContact O-N 3.46Å; N227-Q230 PolarHBondContact O-N 3.09Å; N227-K231 PolarHBondContact O-N 3.11Å
228	E	98.5	Very high	98.5	Very high	73 Å²	73	58.6 Å²	58.6	34%	0.341	29%	0.289	S	S	.	.	H	α-helix	trans	-63	-45.5	174.9	-71.3	178.9	-173	0	0	111.5	S224 T225 Q226 K231 D232 R285	S224-E228 PolarHBondContact O-N 3.06Å; S224-E228 VanDerWaalsContact O-N 3.14Å; T225-E228 PolarHBondContact O-N 3.19Å; Q226-E228 VanDerWaalsContact C-N 3.34Å; Q226-E228 PolarHBondContact O-N 3.37Å; E228-K231 PolarHBondContact O-N 3.43Å; E228-D232 PolarHBondContact O-N 3.26Å; E228-D232 VanDerWaalsContact O-N 3.09Å; E228-R285 IonicContact OE2-NH1 2.8Å
229	L	98.8	Very high	98.5	Very high	1 Å²	1	59 Å²	59	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-62	-43.6	175.7	-66.8	171.7	0	0	0	112	L135 E138 I139 T225 Q226 K231 D232 A233 N282 L283	L135-L229 HydrophobicContact CD2-CB 4.39Å; L135-L229 HydrophobicContact CD2-CD2 3.42Å; L135-L229 VanDerWaalsContact CD2-CD2 3.42Å; E138-L229 HydrophobicContact CB-CD1 4.32Å; E138-L229 HydrophobicContact CG-CD1 3.74Å; E138-L229 HydrophobicContact CG-CD2 4.47Å; I139-L229 HydrophobicContact CD1-CB 3.99Å; I139-L229 HydrophobicContact CG1-CB 3.56Å; I139-L229 HydrophobicContact CG1-CD1 4.03Å; I139-L229 HydrophobicContact CG1-CG 4.46Å; T225-L229 WeakPolarHBondContact O-CG 3.38Å; T225-L229 PolarHBondContact O-N 3.33Å; Q226-L229 PolarHBondContact O-N 3.43Å; L229-K231 VanDerWaalsContact C-N 3.31Å; L229-K231 PolarHBondContact O-N 2.8Å; L229-D232 PolarHBondContact O-N 2.76Å; L229-A233 WeakPolarHBondContact O-CB 3.38Å; L229-A233 PolarHBondContact O-N 3.18Å; L229-N282 HydrophobicContact CD2-CB 3.99Å; L229-L283 HydrophobicContact CD2-CD2 4.27Å
230	Q	98.6	Very high	98.4	Very high	90 Å²	90	59.2 Å²	59.2	42%	0.421	30%	0.297	S	S	.	.	H	α-helix	trans	-63.1	-40.3	-179.7	-174.8	61.4	50.2	0	0	111.2	I139 Q226 N227 A233 V234	I139-Q230 HydrophobicContact CD1-CB 4.45Å; Q226-Q230 WeakPolarHBondContact O-CB 3.31Å; Q226-Q230 PolarHBondContact O-N 2.93Å; N227-Q230 PolarHBondContact O-N 3.09Å; Q230-A233 PolarHBondContact O-N 2.96Å; Q230-V234 VanDerWaalsContact O-CG2 3.26Å; Q230-V234 WeakPolarHBondContact O-CG2 3.49Å; Q230-V234 PolarHBondContact O-N 3.47Å
231	K	98.5	Very high	98.4	Very high	131 Å²	131	56.8 Å²	56.8	57%	0.57	29%	0.294	S	S	*	.	H	α-helix	trans	-62.2	-48.1	174.7	-175.4	-178.2	176	-175.6	0	111.4	N227 E228 L229 A233 V234 D235	N227-K231 PolarHBondContact O-N 3.11Å; E228-K231 PolarHBondContact O-N 3.43Å; L229-K231 VanDerWaalsContact C-N 3.31Å; L229-K231 PolarHBondContact O-N 2.8Å; K231-A233 VanDerWaalsContact C-N 3.3Å; K231-A233 PolarHBondContact O-N 3.19Å; K231-V234 PolarHBondContact O-N 3.25Å; K231-D235 PolarHBondContact O-N 3.11Å
232	D	98.6	Very high	98.3	Very high	3 Å²	3	56 Å²	56	2%	0.016	29%	0.289	C	S	.	.	H	α-helix	trans	-61.3	-39.7	178.1	-168.3	6.5	0	0	0	111.6	L135 E228 L229 D235 K236 Y278 T279 N282	L135-D232 HydrophobicContact CD1-CB 3.88Å; L135-D232 HydrophobicContact CD2-CB 4.32Å; E228-D232 PolarHBondContact O-N 3.26Å; E228-D232 VanDerWaalsContact O-N 3.09Å; L229-D232 PolarHBondContact O-N 2.76Å; D232-D235 PolarHBondContact O-N 3.46Å; D232-K236 WeakPolarHBondContact O-CG 3.43Å; D232-K236 PolarHBondContact O-N 3.21Å; D232-K236 IonicContact OD1-NZ 3.88Å; D232-K236 PolarHBondContact OD1-NZ 3.35Å; D232-K236 IonicContact OD2-NZ 2.77Å; D232-Y278 HydrophobicContact CB-CE1 4.14Å; D232-T279 PolarHBondContact OD1-OG1 2.92Å; D232-T279 WeakPolarHBondContact OD2-CA 3.48Å; D232-T279 WeakPolarHBondContact OD2-CB 3.41Å; D232-T279 PolarHBondContact OD2-OG1 3.42Å; D232-N282 PolarHBondContact OD2-ND2 3.28Å; D232-N282 VanDerWaalsContact OD2-ND2 3.08Å
233	A	98.4	Very high	98.3	Very high	5 Å²	5	57.3 Å²	57.3	4%	0.041	30%	0.296	C	S	.	.	H	α-helix	trans	-65.3	-40.4	177.1	0	0	0	0	0	112.2	L135 I139 L229 Q230 K231 K236 D237	L135-A233 HydrophobicContact CB-CB 4.16Å; L135-A233 HydrophobicContact CD1-CB 4.23Å; I139-A233 HydrophobicContact CD1-CB 4.19Å; L229-A233 WeakPolarHBondContact O-CB 3.38Å; L229-A233 PolarHBondContact O-N 3.18Å; Q230-A233 PolarHBondContact O-N 2.96Å; K231-A233 VanDerWaalsContact C-N 3.3Å; K231-A233 PolarHBondContact O-N 3.19Å; A233-K236 PolarHBondContact O-N 3.22Å; A233-D237 WeakPolarHBondContact O-CB 3.35Å; A233-D237 PolarHBondContact O-N 3.18Å
234	V	98.4	Very high	98.2	Very high	79 Å²	79	55.6 Å²	55.6	48%	0.479	30%	0.295	S	S	.	.	H	α-helix	trans	-66	-44.3	175.6	169.1	0	0	0	0	111.2	Q230 K231 K236 D237 H238	Q230-V234 VanDerWaalsContact O-CG2 3.26Å; Q230-V234 WeakPolarHBondContact O-CG2 3.49Å; Q230-V234 PolarHBondContact O-N 3.47Å; K231-V234 PolarHBondContact O-N 3.25Å; V234-K236 VanDerWaalsContact C-N 3.27Å; V234-K236 PolarHBondContact O-N 2.92Å; V234-D237 PolarHBondContact O-N 3.01Å; V234-H238 PolarHBondContact O-N 2.99Å
235	D	98.3	Very high	98.1	Very high	85 Å²	85	60.4 Å²	60.4	46%	0.455	30%	0.304	S	S	.	.	H	α-helix	trans	-61.1	-38.7	177.5	-71.8	-17.7	0	0	0	111	K231 D232 A239	K231-D235 PolarHBondContact O-N 3.11Å; D232-D235 PolarHBondContact O-N 3.46Å; D235-A239 WeakPolarHBondContact O-CB 3.36Å; D235-A239 PolarHBondContact O-N 3.06Å
236	K	98.2	Very high	98	Very high	5 Å²	5	62.8 Å²	62.8	2%	0.022	32%	0.316	C	S	.	.	H	α-helix	trans	-69.6	-39.6	173.7	-79.1	172.8	175.7	44.4	0	113.6	I128 W131 K132 L135 D232 A233 V234 H238 A239 Q240 T279	I128-K236 HydrophobicContact CG2-CB 3.94Å; I128-K236 HydrophobicContact CG2-CG 4.25Å; I128-K236 VanDerWaalsContact CG2-O 3.28Å; I128-K236 WeakPolarHBondContact CG2-O 3.23Å; W131-K236 HydrophobicContact CB-CD 4.14Å; K132-K236 HydrophobicContact CB-CB 4.2Å; K132-K236 HydrophobicContact CB-CD 4.45Å; K132-K236 HydrophobicContact CG-CB 4.38Å; L135-K236 HydrophobicContact CD1-CD 3.62Å; D232-K236 WeakPolarHBondContact O-CG 3.43Å; D232-K236 PolarHBondContact O-N 3.21Å; D232-K236 IonicContact OD1-NZ 3.88Å; D232-K236 PolarHBondContact OD1-NZ 3.35Å; D232-K236 IonicContact OD2-NZ 2.77Å; A233-K236 PolarHBondContact O-N 3.22Å; V234-K236 VanDerWaalsContact C-N 3.27Å; V234-K236 PolarHBondContact O-N 2.92Å; K236-H238 VanDerWaalsContact C-N 3.29Å; K236-H238 PolarHBondContact O-N 3.39Å; K236-A239 PolarHBondContact O-N 3.36Å; K236-Q240 WeakPolarHBondContact O-CB 3.41Å; K236-Q240 PolarHBondContact O-N 3.46Å; K236-T279 WeakPolarHBondContact CE-OG1 3.42Å; K236-T279 PolarHBondContact NZ-OG1 2.88Å
237	D	98	Very high	97.9	Very high	67 Å²	67	64.4 Å²	64.4	36%	0.358	32%	0.323	S	S	.	.	H	α-helix	trans	-63.2	-39.8	176.9	-161.2	73	0	0	0	111.3	K132 A233 V234 Q240 T241	K132-D237 HydrophobicContact CD-CB 4.06Å; K132-D237 IonicContact NZ-OD1 3.44Å; K132-D237 PolarHBondContact NZ-OD1 3.29Å; A233-D237 WeakPolarHBondContact O-CB 3.35Å; A233-D237 PolarHBondContact O-N 3.18Å; V234-D237 PolarHBondContact O-N 3.01Å; D237-Q240 PolarHBondContact O-N 3.35Å; D237-T241 WeakPolarHBondContact O-CB 3.3Å; D237-T241 PolarHBondContact O-N 2.63Å; D237-T241 PolarHBondContact O-OG1 3.45Å
238	H	98.3	Very high	97.6	Very high	122 Å²	122	61.9 Å²	61.9	57%	0.565	32%	0.323	S	S	*	.	H	α-helix	trans	-63.7	-47.7	173.1	-175.4	61	0	0	0	112.2	V234 K236 Q240 T241 I242	V234-H238 PolarHBondContact O-N 2.99Å; K236-H238 VanDerWaalsContact C-N 3.29Å; K236-H238 PolarHBondContact O-N 3.39Å; H238-Q240 PolarHBondContact O-N 3.02Å; H238-T241 PolarHBondContact O-N 3.42Å; H238-I242 PolarHBondContact O-N 3.19Å; H238-I242 VanDerWaalsContact O-N 3.16Å
239	A	98	Very high	97.5	Very high	32 Å²	32	61.7 Å²	61.7	26%	0.264	32%	0.324	S	S	.	.	H	α-helix	trans	-60.3	-44.4	177	0	0	0	0	0	111.8	I128 D235 K236 T241 I242 D243	I128-A239 HydrophobicContact CD1-CB 4.06Å; D235-A239 WeakPolarHBondContact O-CB 3.36Å; D235-A239 PolarHBondContact O-N 3.06Å; K236-A239 PolarHBondContact O-N 3.36Å; A239-T241 PolarHBondContact O-N 2.93Å; A239-I242 PolarHBondContact O-N 2.94Å; A239-D243 PolarHBondContact O-N 2.86Å
240	Q	97.7	Very high	97.3	Very high	20 Å²	20	64.3 Å²	64.3	9%	0.093	34%	0.342	C	S	.	.	H	α-helix	trans	-61.3	-43.7	176.3	-177.5	171.5	4.7	0	0	111.9	I128 K236 D237 H238 I242 D243 D244	I128-Q240 HydrophobicContact CG2-CB 3.8Å; K236-Q240 WeakPolarHBondContact O-CB 3.41Å; K236-Q240 PolarHBondContact O-N 3.46Å; D237-Q240 PolarHBondContact O-N 3.35Å; H238-Q240 PolarHBondContact O-N 3.02Å; Q240-I242 PolarHBondContact O-N 3.31Å; Q240-D243 PolarHBondContact O-N 3.21Å; Q240-D244 WeakPolarHBondContact CG-OD2 3.41Å; Q240-D244 VanDerWaalsContact O-CB 3.28Å; Q240-D244 WeakPolarHBondContact O-CB 3.23Å; Q240-D244 PolarHBondContact O-N 3.33Å
241	T	98	Very high	97	Very high	84 Å²	84	66 Å²	66	52%	0.515	35%	0.354	S	S	.	.	H	α-helix	trans	-58.8	-38	177.9	-60.2	0	0	0	0	111.9	D237 H238 A239 R245	D237-T241 WeakPolarHBondContact O-CB 3.3Å; D237-T241 PolarHBondContact O-N 2.63Å; D237-T241 PolarHBondContact O-OG1 3.45Å; H238-T241 PolarHBondContact O-N 3.42Å; A239-T241 PolarHBondContact O-N 2.93Å; T241-R245 WeakPolarHBondContact O-CB 3.15Å; T241-R245 PolarHBondContact O-N 2.99Å
242	I	97.9	Very high	96.9	Very high	57 Å²	57	64.9 Å²	64.9	29%	0.292	36%	0.363	S	S	.	.	H	α-helix	trans	-68.4	-52.3	174.8	-67	170.4	0	0	0	110	H238 A239 Q240 D244 R245 L246	H238-I242 PolarHBondContact O-N 3.19Å; H238-I242 VanDerWaalsContact O-N 3.16Å; A239-I242 PolarHBondContact O-N 2.94Å; Q240-I242 PolarHBondContact O-N 3.31Å; I242-D244 PolarHBondContact O-N 2.83Å; I242-R245 WeakPolarHBondContact O-CB 3.35Å; I242-R245 PolarHBondContact O-N 3.03Å; I242-R245 VanDerWaalsContact O-N 3.16Å; I242-L246 HydrophobicContact CG2-CD1 3.83Å; I242-L246 HydrophobicContact CG2-CG 4.16Å; I242-L246 VanDerWaalsContact O-CG 3.32Å; I242-L246 WeakPolarHBondContact O-CG 3.42Å; I242-L246 PolarHBondContact O-N 3.07Å
243	D	97.8	Very high	96.7	Very high	27 Å²	27	66.1 Å²	66.1	14%	0.144	37%	0.372	C	S	.	.	H	α-helix	trans	-67.8	-35.6	-173.6	-72.8	-2.9	0	0	0	112.6	R124 V125 I128 A239 Q240 R245 L246 H247	R124-D243 WeakPolarHBondContact CG-OD2 3.5Å; V125-D243 HydrophobicContact CG2-CB 3.63Å; I128-D243 WeakPolarHBondContact CD1-OD2 3.47Å; A239-D243 PolarHBondContact O-N 2.86Å; Q240-D243 PolarHBondContact O-N 3.21Å; D243-R245 VanDerWaalsContact C-N 3.34Å; D243-R245 PolarHBondContact O-N 2.94Å; D243-L246 PolarHBondContact O-N 3.07Å; D243-H247 VanDerWaalsContact O-CB 3.26Å; D243-H247 WeakPolarHBondContact O-CB 3.4Å; D243-H247 PolarHBondContact O-N 3.03Å
244	D	97	Very high	96.4	Very high	73 Å²	73	69.8 Å²	69.8	39%	0.39	40%	0.402	S	S	.	.	H	α-helix	trans	-59.5	-45.4	171.4	-80.6	-26.8	0	0	0	110.8	V125 Q240 I242 H247 G248	V125-D244 WeakPolarHBondContact CG1-OD1 3.49Å; Q240-D244 WeakPolarHBondContact CG-OD2 3.41Å; Q240-D244 VanDerWaalsContact O-CB 3.28Å; Q240-D244 WeakPolarHBondContact O-CB 3.23Å; Q240-D244 PolarHBondContact O-N 3.33Å; I242-D244 PolarHBondContact O-N 2.83Å; D244-H247 PolarHBondContact O-N 3.28Å; D244-G248 PolarHBondContact O-N 3.44Å; D244-G248 VanDerWaalsContact O-N 3.14Å
245	R	96.5	Very high	96	Very high	161 Å²	161	73.7 Å²	73.7	61%	0.608	42%	0.42	S	S	*	.	H	α-helix	trans	-64.1	-42.5	176.3	-178.9	179	63	112.9	1.5	111.3	T241 I242 D243 G248 L249	T241-R245 WeakPolarHBondContact O-CB 3.15Å; T241-R245 PolarHBondContact O-N 2.99Å; I242-R245 WeakPolarHBondContact O-CB 3.35Å; I242-R245 PolarHBondContact O-N 3.03Å; I242-R245 VanDerWaalsContact O-N 3.16Å; D243-R245 VanDerWaalsContact C-N 3.34Å; D243-R245 PolarHBondContact O-N 2.94Å; R245-G248 PolarHBondContact O-N 3.49Å; R245-L249 PolarHBondContact O-N 2.77Å
246	L	96.1	Very high	95.8	Very high	62 Å²	62	74 Å²	74	33%	0.325	42%	0.421	S	S	.	.	H	α-helix	trans	-67.6	-39.8	179	-66.9	-179.7	0	0	0	111.9	L121 I242 D243 G248 L249	L121-L246 HydrophobicContact CD1-CB 4.1Å; L121-L246 HydrophobicContact CD2-CB 4.32Å; I242-L246 HydrophobicContact CG2-CD1 3.83Å; I242-L246 HydrophobicContact CG2-CG 4.16Å; I242-L246 VanDerWaalsContact O-CG 3.32Å; I242-L246 WeakPolarHBondContact O-CG 3.42Å; I242-L246 PolarHBondContact O-N 3.07Å; D243-L246 PolarHBondContact O-N 3.07Å; L246-G248 PolarHBondContact O-N 3.5Å; L246-L249 HydrophobicContact CD2-CD1 3.82Å; L246-L249 WeakPolarHBondContact O-CB 3.48Å; L246-L249 PolarHBondContact O-N 3.03Å; L246-L249 VanDerWaalsContact O-N 3.1Å
247	H	95	Very high	95.6	Very high	66 Å²	66	76.7 Å²	76.7	31%	0.306	44%	0.444	S	S	.	.	H	α-helix	trans	-60.3	-35.5	175	179.2	63	0	0	0	111.7	T118 L121 D243 D244 L249	T118-H247 PolarHBondContact O-ND1 2.89Å; L121-H247 HydrophobicContact CB-CB 4.26Å; D243-H247 VanDerWaalsContact O-CB 3.26Å; D243-H247 WeakPolarHBondContact O-CB 3.4Å; D243-H247 PolarHBondContact O-N 3.03Å; D244-H247 PolarHBondContact O-N 3.28Å; H247-L249 VanDerWaalsContact C-N 3.32Å; H247-L249 PolarHBondContact O-N 3.44Å
248	G	94.2	Very high	95.5	Very high	56 Å²	56	81.4 Å²	81.4	58%	0.577	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-5.3	175.2	0	0	0	0	0	115.9	D244 R245 L246	D244-G248 PolarHBondContact O-N 3.44Å; D244-G248 VanDerWaalsContact O-N 3.14Å; R245-G248 PolarHBondContact O-N 3.49Å; L246-G248 PolarHBondContact O-N 3.5Å
249	L	95.1	Very high	95.3	Very high	69 Å²	69	83.1 Å²	83.1	36%	0.361	47%	0.471	S	S	.	.			trans	-75.7	137.1	178.4	-68.6	179.3	0	0	0	111.9	R245 L246 H247 I256	R245-L249 PolarHBondContact O-N 2.77Å; L246-L249 HydrophobicContact CD2-CD1 3.82Å; L246-L249 WeakPolarHBondContact O-CB 3.48Å; L246-L249 PolarHBondContact O-N 3.03Å; L246-L249 VanDerWaalsContact O-N 3.1Å; H247-L249 VanDerWaalsContact C-N 3.32Å; H247-L249 PolarHBondContact O-N 3.44Å; L249-I256 HydrophobicContact CD2-CG2 4.44Å
250	C	93.8	Very high	95.1	Very high	57 Å²	57	89.4 Å²	89.4	39%	0.385	50%	0.5	S	S	.	.			trans	-137.2	173.3	175.8	69.9	0	0	0	0	110.7	S252 S253	C250-S252 PolarHBondContact O-N 2.89Å; C250-S252 PolarHBondContact SG-OG 3.22Å; C250-S253 PolarHBondContact N-OG 2.87Å; C250-S253 VanDerWaalsContact O-CB 3.31Å; C250-S253 WeakPolarHBondContact O-CB 3.48Å; C250-S253 PolarHBondContact O-N 3.34Å; C250-S253 PolarHBondContact O-OG 3.37Å; C250-S253 PolarHBondContact SG-OG 2.91Å; C250-S253 VanDerWaalsContact SG-OG 3.34Å
251	N	94.2	Very high	95	Very high	124 Å²	124	90.1 Å²	90.1	66%	0.663	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-16	-176.2	-64.4	-29.3	0	0	0	114.2	Q114	Q114-N251 PolarHBondContact NE2-OD1 3.48Å; Q114-N251 PolarHBondContact OE1-ND2 3.39Å; Q114-N251 PolarHBondContact OE1-OD1 3.47Å
252	S	94.6	Very high	94.8	Very high	109 Å²	109	91 Å²	91	76%	0.762	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	5.1	175.8	54.1	0	0	0	0	113.6	C250	C250-S252 PolarHBondContact O-N 2.89Å; C250-S252 PolarHBondContact SG-OG 3.22Å
253	S	94.9	Very high	94.6	Very high	28 Å²	28	94.5 Å²	94.5	20%	0.196	53%	0.528	C	S	.	.			trans	-65.7	138.8	177.9	-68.3	0	0	0	0	111.1	C250 I256	C250-S253 PolarHBondContact N-OG 2.87Å; C250-S253 VanDerWaalsContact O-CB 3.31Å; C250-S253 WeakPolarHBondContact O-CB 3.48Å; C250-S253 PolarHBondContact O-N 3.34Å; C250-S253 PolarHBondContact O-OG 3.37Å; C250-S253 PolarHBondContact SG-OG 2.91Å; C250-S253 VanDerWaalsContact SG-OG 3.34Å; S253-I256 WeakPolarHBondContact O-CG1 3.29Å
254	A	92	Very high	94.5	Very high	82 Å²	82	102.5 Å²	102.5	68%	0.678	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	154	170.8	0	0	0	0	0	110.9	I256	A254-I256 VanDerWaalsContact C-N 3.29Å; A254-I256 PolarHBondContact O-N 3.48Å
255	N	89.6	Confident	94.3	Very high	161 Å²	161	105.8 Å²	105.8	86%	0.861	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	63.3	23.4	177.5	-53.5	-39.4	0	0	0	115.9
256	I	94.3	Very high	94.1	Very high	91 Å²	91	103.9 Å²	103.9	47%	0.467	57%	0.571	S	S	.	*			trans	-81	138.1	161.6	64.4	-178.8	0	0	0	109.3	L249 S253 A254	L249-I256 HydrophobicContact CD2-CG2 4.44Å; S253-I256 WeakPolarHBondContact O-CG1 3.29Å; A254-I256 VanDerWaalsContact C-N 3.29Å; A254-I256 PolarHBondContact O-N 3.48Å
257	A	94.6	Very high	93.9	Very high	62 Å²	62	106 Å²	106	51%	0.512	58%	0.583	S	S	.	*			trans	-143.3	162.7	-175.7	0	0	0	0	0	111.6	Y259	A257-Y259 HydrophobicContact CB-CE2 3.96Å; A257-Y259 WeakPolarHBondContact O-CD2 3.4Å; A257-Y259 WeakPolarHBondContact O-CE2 3.41Å
258	L	95.5	Very high	93.9	Very high	167 Å²	167	108 Å²	108	87%	0.874	60%	0.599	S	S	*	*			trans	-84.3	125.8	171.3	-64	174.5	0	0	0	109.4
259	Y	94.8	Very high	93.8	Very high	158 Å²	158	116.4 Å²	116.4	62%	0.62	61%	0.614	S	S	*	*			trans	-116.8	106.6	176.7	-61.3	-84	0	0	0	109.2	A257 G261 I262	A257-Y259 HydrophobicContact CB-CE2 3.96Å; A257-Y259 WeakPolarHBondContact O-CD2 3.4Å; A257-Y259 WeakPolarHBondContact O-CE2 3.41Å; Y259-G261 PolarHBondContact O-N 2.96Å; Y259-I262 WeakPolarHBondContact O-CG2 3.25Å
260	N	94.4	Very high	93.9	Very high	163 Å²	163	116 Å²	116	87%	0.872	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	127	-176.6	-66.4	-23.2	0	0	0	111.2	I262	N260-I262 VanDerWaalsContact C-N 3.3Å; N260-I262 PolarHBondContact O-N 3.13Å
261	G	94.8	Very high	93.9	Very high	35 Å²	35	118.3 Å²	118.3	36%	0.361	63%	0.625	S	S	.	*	T	Hydrogen-bonded Turn	trans	76.4	9.9	172.4	0	0	0	0	0	115.4	Y259 E263 Y264	Y259-G261 PolarHBondContact O-N 2.96Å; G261-E263 VanDerWaalsContact CA-OE2 3.27Å; G261-E263 WeakPolarHBondContact CA-OE2 3.41Å; G261-E263 PolarHBondContact N-OE2 3.2Å; G261-E263 PolarHBondContact O-N 3.05Å; G261-Y264 PolarHBondContact O-N 2.91Å; G261-Y264 VanDerWaalsContact O-N 3.15Å
262	I	94.3	Very high	94	Very high	104 Å²	104	116.9 Å²	116.9	53%	0.533	62%	0.622	S	S	.	*	G	3₁₀ helix	trans	-61.9	-27.6	178.7	-167.7	60.4	0	0	0	112.2	Y259 N260 Y264 F265	Y259-I262 WeakPolarHBondContact O-CG2 3.25Å; N260-I262 VanDerWaalsContact C-N 3.3Å; N260-I262 PolarHBondContact O-N 3.13Å; I262-Y264 PolarHBondContact O-N 3.45Å; I262-F265 HydrophobicContact CD1-CB 4.38Å; I262-F265 PolarHBondContact O-N 3.23Å; I262-F265 VanDerWaalsContact O-N 3.14Å
263	E	93.1	Very high	94	Very high	129 Å²	129	116.5 Å²	116.5	60%	0.603	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-65.4	-18.9	177.5	68.2	-85.5	-157.3	0	0	113.8	G261	G261-E263 VanDerWaalsContact CA-OE2 3.27Å; G261-E263 WeakPolarHBondContact CA-OE2 3.41Å; G261-E263 PolarHBondContact N-OE2 3.2Å; G261-E263 PolarHBondContact O-N 3.05Å
264	Y	95.1	Very high	94.2	Very high	195 Å²	195	116.7 Å²	116.7	77%	0.765	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-97	-3.9	176.9	-55.1	-71.5	0	0	0	113	G261 I262	G261-Y264 PolarHBondContact O-N 2.91Å; G261-Y264 VanDerWaalsContact O-N 3.15Å; I262-Y264 PolarHBondContact O-N 3.45Å
265	F	93.7	Very high	94.4	Very high	142 Å²	142	114.4 Å²	114.4	62%	0.623	59%	0.591	S	S	*	*			trans	-93.4	106.5	179.5	-175.3	-97.8	0	0	0	110.5	I262 N267	I262-F265 HydrophobicContact CD1-CB 4.38Å; I262-F265 PolarHBondContact O-N 3.23Å; I262-F265 VanDerWaalsContact O-N 3.14Å; F265-N267 HydrophobicContact CD1-CB 4.42Å; F265-N267 HydrophobicContact CE1-CB 3.58Å; F265-N267 HydrophobicContact CZ-CB 3.82Å
266	D	91.5	Very high	94.8	Very high	121 Å²	121	110 Å²	110	65%	0.647	57%	0.565	S	S	*	*			trans	-112.4	111.9	173.1	-174.1	-1	0	0	0	110.3	T268	D266-T268 VanDerWaalsContact OD1-CB 3.23Å; D266-T268 WeakPolarHBondContact OD1-CB 3.45Å; D266-T268 WeakPolarHBondContact OD1-CG2 3.2Å; D266-T268 PolarHBondContact OD1-N 3.43Å; D266-T268 PolarHBondContact OD1-OG1 3.4Å; D266-T268 PolarHBondContact OD2-OG1 3.29Å
267	N	92.7	Very high	94.9	Very high	107 Å²	107	111.9 Å²	111.9	57%	0.572	57%	0.567	S	S	*	*			trans	-116.1	26.5	174.4	-171.5	30.7	0	0	0	111.2	F265	F265-N267 HydrophobicContact CD1-CB 4.42Å; F265-N267 HydrophobicContact CE1-CB 3.58Å; F265-N267 HydrophobicContact CZ-CB 3.82Å
268	T	93.7	Very high	95.1	Very high	107 Å²	107	113.5 Å²	113.5	66%	0.656	56%	0.56	S	S	*	*			trans	-69.9	134.6	176.6	60.9	0	0	0	0	110.5	D266	D266-T268 VanDerWaalsContact OD1-CB 3.23Å; D266-T268 WeakPolarHBondContact OD1-CB 3.45Å; D266-T268 WeakPolarHBondContact OD1-CG2 3.2Å; D266-T268 PolarHBondContact OD1-N 3.43Å; D266-T268 PolarHBondContact OD1-OG1 3.4Å; D266-T268 PolarHBondContact OD2-OG1 3.29Å
269	R	94	Very high	95.2	Very high	233 Å²	233	105.6 Å²	105.6	88%	0.879	52%	0.519	S	S	*	.			trans	-111.8	-10.2	177.9	-64.5	-173.3	178.9	-174.3	-0.7	113.5
270	S	95.3	Very high	95.4	Very high	62 Å²	62	101.6 Å²	101.6	43%	0.434	51%	0.506	S	S	.	.			trans	-147.8	160.6	-176.4	64.7	0	0	0	0	109.7
271	I	95.4	Very high	95.6	Very high	105 Å²	105	97 Å²	97	54%	0.538	48%	0.479	S	S	.	.			trans	-114.5	162.4	173.2	58.2	169.7	0	0	0	108.3	T273 S274 W275	I271-T273 VanDerWaalsContact CD1-OG1 3.26Å; I271-T273 WeakPolarHBondContact CD1-OG1 3.39Å; I271-T273 WeakPolarHBondContact CG1-OG1 3.46Å; I271-T273 PolarHBondContact O-N 3.05Å; I271-S274 WeakPolarHBondContact CG1-OG 3.11Å; I271-S274 PolarHBondContact N-OG 2.96Å; I271-S274 PolarHBondContact O-N 3Å; I271-S274 PolarHBondContact O-OG 2.93Å; I271-S274 VanDerWaalsContact O-OG 3.13Å; I271-W275 WeakPolarHBondContact O-CB 3.38Å; I271-W275 PolarHBondContact O-N 2.96Å
272	P	95.4	Very high	95.8	Very high	94 Å²	94	95.6 Å²	95.6	61%	0.61	46%	0.463	S	S	*	.	H	α-helix	trans	-51.1	-38.9	-174.6	-31.1	36.8	0	0	0	114.5	M276	P272-M276 WeakPolarHBondContact O-CB 3.33Å; P272-M276 PolarHBondContact O-N 2.83Å
273	T	95.8	Very high	96	Very high	100 Å²	100	91.2 Å²	91.2	61%	0.613	44%	0.441	S	S	*	.	H	α-helix	trans	-68.7	-41.8	178.2	54.7	0	0	0	0	113	I271 R277	I271-T273 VanDerWaalsContact CD1-OG1 3.26Å; I271-T273 WeakPolarHBondContact CD1-OG1 3.39Å; I271-T273 WeakPolarHBondContact CG1-OG1 3.46Å; I271-T273 PolarHBondContact O-N 3.05Å; T273-R277 VanDerWaalsContact O-CB 3.24Å; T273-R277 WeakPolarHBondContact O-CB 3.41Å; T273-R277 PolarHBondContact O-N 2.71Å
274	S	97.2	Very high	96.3	Very high	33 Å²	33	89.3 Å²	89.3	23%	0.231	43%	0.434	C	S	.	.	H	α-helix	trans	-75	-32.3	177.3	63.5	0	0	0	0	112.5	I271 Y278	I271-S274 WeakPolarHBondContact CG1-OG 3.11Å; I271-S274 PolarHBondContact N-OG 2.96Å; I271-S274 PolarHBondContact O-N 3Å; I271-S274 PolarHBondContact O-OG 2.93Å; I271-S274 VanDerWaalsContact O-OG 3.13Å; S274-Y278 WeakPolarHBondContact O-CB 3.41Å; S274-Y278 PolarHBondContact O-N 3.37Å
275	W	97.3	Very high	96.4	Very high	34 Å²	34	85.7 Å²	85.7	13%	0.129	42%	0.419	C	S	.	.	H	α-helix	trans	-62.9	-48	172.6	173.1	86.7	0	0	0	112	R124 E127 I128 W131 I271 Y278	R124-W275 VanDerWaalsContact NH1-CZ3 3.25Å; E127-W275 HydrophobicContact CB-CH2 4.42Å; I128-W275 HydrophobicContact CG1-CH2 4.29Å; I128-W275 HydrophobicContact CG1-CZ2 3.97Å; W131-W275 HydrophobicContact CB-CH2 4.35Å; W131-W275 AromaticContact CD1-CH2 3.43Å; W131-W275 VanDerWaalsContact CD1-CH2 3.43Å; W131-W275 AromaticContact CD1-CZ3 3.5Å; W131-W275 HydrophobicContact CG-CH2 4.15Å; W131-W275 HydrophobicContact CG-CZ3 4.42Å; W131-W275 AromaticContact NE1-CZ3 3.9Å; I271-W275 WeakPolarHBondContact O-CB 3.38Å; I271-W275 PolarHBondContact O-N 2.96Å; W275-Y278 PolarHBondContact O-N 2.75Å
276	M	97	Very high	96.7	Very high	67 Å²	67	79 Å²	79	33%	0.33	39%	0.389	S	S	.	.	H	α-helix	trans	-64.7	-45.9	177.4	-178.6	-177.2	-68.6	0	0	111	W131 P272 Y278 T279 Q280	W131-M276 HydrophobicContact CH2-CG 4.4Å; W131-M276 HydrophobicContact CZ2-CE 4.27Å; W131-M276 HydrophobicContact CZ2-CG 3.55Å; W131-M276 HydrophobicContact CZ2-SD 3.93Å; P272-M276 WeakPolarHBondContact O-CB 3.33Å; P272-M276 PolarHBondContact O-N 2.83Å; M276-Y278 VanDerWaalsContact C-N 3.3Å; M276-Y278 PolarHBondContact O-N 2.7Å; M276-T279 PolarHBondContact O-N 3.12Å; M276-Q280 HydrophobicContact CG-CG 4.37Å; M276-Q280 WeakPolarHBondContact O-CG 3.44Å; M276-Q280 PolarHBondContact O-N 3.4Å
277	R	97.8	Very high	97	Very high	131 Å²	131	77.1 Å²	77.1	49%	0.494	38%	0.377	S	S	.	.	H	α-helix	trans	-59.1	-39.4	178.6	-179.9	171.6	61.1	90	-2.2	112.4	T273 T279 Q280 E281	T273-R277 VanDerWaalsContact O-CB 3.24Å; T273-R277 WeakPolarHBondContact O-CB 3.41Å; T273-R277 PolarHBondContact O-N 2.71Å; R277-T279 VanDerWaalsContact C-N 3.32Å; R277-T279 PolarHBondContact O-N 3.4Å; R277-Q280 PolarHBondContact O-N 3.12Å; R277-E281 WeakPolarHBondContact CD-OE1 3.43Å; R277-E281 HydrophobicContact CG-CG 4.1Å; R277-E281 WeakPolarHBondContact CG-OE1 3.33Å; R277-E281 IonicContact CZ-OE1 3.38Å; R277-E281 IonicContact NE-OE1 3.16Å; R277-E281 IonicContact NH1-OE1 3.85Å; R277-E281 PolarHBondContact NH1-OE1 3.46Å; R277-E281 IonicContact NH1-OE2 2.87Å; R277-E281 WeakPolarHBondContact O-CB 3.33Å; R277-E281 WeakPolarHBondContact O-CG 3.3Å; R277-E281 PolarHBondContact O-N 3.29Å
278	Y	98.2	Very high	97.3	Very high	97 Å²	97	76.6 Å²	76.6	38%	0.38	37%	0.374	S	S	.	.	H	α-helix	trans	-55	-48.1	177	175.6	-104.6	0	0	0	111.9	D232 S274 W275 M276 E281 N282	D232-Y278 HydrophobicContact CB-CE1 4.14Å; S274-Y278 WeakPolarHBondContact O-CB 3.41Å; S274-Y278 PolarHBondContact O-N 3.37Å; W275-Y278 PolarHBondContact O-N 2.75Å; M276-Y278 VanDerWaalsContact C-N 3.3Å; M276-Y278 PolarHBondContact O-N 2.7Å; Y278-E281 PolarHBondContact O-N 2.99Å; Y278-N282 WeakPolarHBondContact CE1-ND2 3.39Å; Y278-N282 VanDerWaalsContact O-CG 3.28Å; Y278-N282 PolarHBondContact O-N 3.22Å; Y278-N282 VanDerWaalsContact O-N 3.11Å; Y278-N282 PolarHBondContact O-ND2 3.31Å
279	T	98.4	Very high	97.5	Very high	0 Å²	0	73.7 Å²	73.7	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-70.7	-40.7	178.7	-63.7	0	0	0	0	112.7	W131 L135 D232 K236 M276 R277 E281 N282 L283	W131-T279 HydrophobicContact CB-CG2 4.23Å; W131-T279 HydrophobicContact CD2-CG2 4.32Å; W131-T279 HydrophobicContact CE3-CG2 3.84Å; L135-T279 HydrophobicContact CD1-CG2 3.97Å; L135-T279 HydrophobicContact CD2-CG2 3.92Å; L135-T279 HydrophobicContact CG-CG2 3.86Å; D232-T279 PolarHBondContact OD1-OG1 2.92Å; D232-T279 WeakPolarHBondContact OD2-CA 3.48Å; D232-T279 WeakPolarHBondContact OD2-CB 3.41Å; D232-T279 PolarHBondContact OD2-OG1 3.42Å; K236-T279 WeakPolarHBondContact CE-OG1 3.42Å; K236-T279 PolarHBondContact NZ-OG1 2.88Å; M276-T279 PolarHBondContact O-N 3.12Å; R277-T279 VanDerWaalsContact C-N 3.32Å; R277-T279 PolarHBondContact O-N 3.4Å; T279-E281 VanDerWaalsContact C-N 3.31Å; T279-E281 PolarHBondContact O-N 3Å; T279-N282 PolarHBondContact O-N 2.91Å; T279-L283 HydrophobicContact CG2-CD1 4.11Å; T279-L283 HydrophobicContact CG2-CG 4.46Å; T279-L283 WeakPolarHBondContact O-CG 3.26Å; T279-L283 PolarHBondContact O-N 2.92Å
280	Q	98.3	Very high	97.7	Very high	74 Å²	74	65.2 Å²	65.2	35%	0.346	32%	0.321	S	S	.	.	H	α-helix	trans	-59.4	-42.7	174.7	-72.3	174.3	-21.6	0	0	111.8	W131 M276 R277 L283 I284	W131-Q280 HydrophobicContact CH2-CG 3.57Å; W131-Q280 HydrophobicContact CZ2-CG 4.27Å; W131-Q280 HydrophobicContact CZ3-CG 3.84Å; M276-Q280 HydrophobicContact CG-CG 4.37Å; M276-Q280 WeakPolarHBondContact O-CG 3.44Å; M276-Q280 PolarHBondContact O-N 3.4Å; R277-Q280 PolarHBondContact O-N 3.12Å; Q280-L283 PolarHBondContact O-N 3.42Å; Q280-I284 WeakPolarHBondContact O-CB 3.43Å; Q280-I284 VanDerWaalsContact O-CG1 3.26Å; Q280-I284 WeakPolarHBondContact O-CG1 3.38Å; Q280-I284 PolarHBondContact O-N 2.8Å
281	E	98.5	Very high	97.9	Very high	66 Å²	66	65.5 Å²	65.5	31%	0.308	32%	0.323	S	S	.	.	H	α-helix	trans	-64.1	-41	176.6	-74.8	176.7	-165.7	0	0	111.8	R277 Y278 T279 I284 R285	R277-E281 WeakPolarHBondContact CD-OE1 3.43Å; R277-E281 HydrophobicContact CG-CG 4.1Å; R277-E281 WeakPolarHBondContact CG-OE1 3.33Å; R277-E281 IonicContact CZ-OE1 3.38Å; R277-E281 IonicContact NE-OE1 3.16Å; R277-E281 IonicContact NH1-OE1 3.85Å; R277-E281 PolarHBondContact NH1-OE1 3.46Å; R277-E281 IonicContact NH1-OE2 2.87Å; R277-E281 WeakPolarHBondContact O-CB 3.33Å; R277-E281 WeakPolarHBondContact O-CG 3.3Å; R277-E281 PolarHBondContact O-N 3.29Å; Y278-E281 PolarHBondContact O-N 2.99Å; T279-E281 VanDerWaalsContact C-N 3.31Å; T279-E281 PolarHBondContact O-N 3Å; E281-I284 PolarHBondContact O-N 3.46Å; E281-R285 WeakPolarHBondContact O-CB 3.41Å; E281-R285 VanDerWaalsContact O-CG 3.22Å; E281-R285 WeakPolarHBondContact O-CG 3.44Å; E281-R285 PolarHBondContact O-N 3.42Å
282	N	98.6	Very high	98	Very high	6 Å²	6	62.5 Å²	62.5	3%	0.032	31%	0.314	C	S	.	.	H	α-helix	trans	-61.8	-44	174.8	-67.9	-20.5	0	0	0	111.7	L229 D232 Y278 T279 R285 S286	L229-N282 HydrophobicContact CD2-CB 3.99Å; D232-N282 PolarHBondContact OD2-ND2 3.28Å; D232-N282 VanDerWaalsContact OD2-ND2 3.08Å; Y278-N282 WeakPolarHBondContact CE1-ND2 3.39Å; Y278-N282 VanDerWaalsContact O-CG 3.28Å; Y278-N282 PolarHBondContact O-N 3.22Å; Y278-N282 VanDerWaalsContact O-N 3.11Å; Y278-N282 PolarHBondContact O-ND2 3.31Å; T279-N282 PolarHBondContact O-N 2.91Å; N282-R285 PolarHBondContact O-N 2.9Å; N282-S286 PolarHBondContact O-N 3.25Å; N282-S286 VanDerWaalsContact O-N 3.1Å
283	L	98.7	Very high	98.2	Very high	13 Å²	13	58 Å²	58	7%	0.068	29%	0.285	C	S	.	.	H	α-helix	trans	-61.4	-50.6	176.6	-71.5	168.3	0	0	0	111.4	W131 E134 L135 E138 L229 T279 Q280 R285 S286 Q287	W131-L283 HydrophobicContact CE3-CD1 4.1Å; W131-L283 HydrophobicContact CZ3-CD1 3.91Å; E134-L283 HydrophobicContact CB-CD1 4.12Å; L135-L283 HydrophobicContact CD2-CD2 4.09Å; L135-L283 HydrophobicContact CD2-CG 4.29Å; E138-L283 HydrophobicContact CB-CD2 3.59Å; E138-L283 HydrophobicContact CG-CD2 3.89Å; L229-L283 HydrophobicContact CD2-CD2 4.27Å; T279-L283 HydrophobicContact CG2-CD1 4.11Å; T279-L283 HydrophobicContact CG2-CG 4.46Å; T279-L283 WeakPolarHBondContact O-CG 3.26Å; T279-L283 PolarHBondContact O-N 2.92Å; Q280-L283 PolarHBondContact O-N 3.42Å; L283-R285 VanDerWaalsContact C-N 3.28Å; L283-R285 PolarHBondContact O-N 3.41Å; L283-S286 PolarHBondContact O-N 3.3Å; L283-Q287 VanDerWaalsContact O-CG 3.3Å; L283-Q287 WeakPolarHBondContact O-CG 3.36Å; L283-Q287 PolarHBondContact O-N 2.9Å
284	I	98.6	Very high	98.3	Very high	89 Å²	89	58 Å²	58	46%	0.456	28%	0.278	S	S	.	.	H	α-helix	trans	-59.3	-40.3	178.7	-70	165.9	0	0	0	110.9	Q280 E281 Q287 N288	Q280-I284 WeakPolarHBondContact O-CB 3.43Å; Q280-I284 VanDerWaalsContact O-CG1 3.26Å; Q280-I284 WeakPolarHBondContact O-CG1 3.38Å; Q280-I284 PolarHBondContact O-N 2.8Å; E281-I284 PolarHBondContact O-N 3.46Å; I284-Q287 PolarHBondContact O-N 3.07Å; I284-N288 WeakPolarHBondContact O-CB 3.33Å; I284-N288 PolarHBondContact O-N 2.9Å; I284-N288 PolarHBondContact O-ND2 3.32Å
285	R	98.6	Very high	98.4	Very high	119 Å²	119	60 Å²	60	45%	0.449	29%	0.286	S	S	.	.	H	α-helix	trans	-61	-47.8	176.2	-75.4	173.5	-167.6	179.7	8	111.8	T225 E228 E281 N282 L283 N288 Q289	T225-R285 HydrophobicContact CG2-CB 4.47Å; E228-R285 IonicContact OE2-NH1 2.8Å; E281-R285 WeakPolarHBondContact O-CB 3.41Å; E281-R285 VanDerWaalsContact O-CG 3.22Å; E281-R285 WeakPolarHBondContact O-CG 3.44Å; E281-R285 PolarHBondContact O-N 3.42Å; N282-R285 PolarHBondContact O-N 2.9Å; L283-R285 VanDerWaalsContact C-N 3.28Å; L283-R285 PolarHBondContact O-N 3.41Å; R285-N288 PolarHBondContact O-N 3.44Å; R285-Q289 WeakPolarHBondContact O-CG 3.43Å; R285-Q289 PolarHBondContact O-N 3.07Å
286	S	98.7	Very high	98.4	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-62.3	-45.6	177.3	179.2	0	0	0	0	111.9	E138 N142 N282 L283 N288 Q289 R290	E138-S286 WeakPolarHBondContact CG-OG 3.38Å; E138-S286 VanDerWaalsContact OE1-CB 3.25Å; E138-S286 WeakPolarHBondContact OE1-CB 3.35Å; E138-S286 PolarHBondContact OE1-OG 2.68Å; N142-S286 PolarHBondContact ND2-OG 3.33Å; N282-S286 PolarHBondContact O-N 3.25Å; N282-S286 VanDerWaalsContact O-N 3.1Å; L283-S286 PolarHBondContact O-N 3.3Å; S286-N288 VanDerWaalsContact C-N 3.32Å; S286-N288 PolarHBondContact O-N 3.07Å; S286-Q289 PolarHBondContact O-N 3.32Å; S286-R290 PolarHBondContact O-N 2.88Å
287	Q	98.7	Very high	98.5	Very high	83 Å²	83	58 Å²	58	39%	0.388	28%	0.276	S	S	.	.	H	α-helix	trans	-57.1	-45.4	176.8	-71.3	169.4	-7.2	0	0	111.4	E138 L283 I284 Q289 R290 S291	E138-Q287 PolarHBondContact OE1-N 3.17Å; L283-Q287 VanDerWaalsContact O-CG 3.3Å; L283-Q287 WeakPolarHBondContact O-CG 3.36Å; L283-Q287 PolarHBondContact O-N 2.9Å; I284-Q287 PolarHBondContact O-N 3.07Å; Q287-Q289 VanDerWaalsContact C-N 3.34Å; Q287-Q289 PolarHBondContact O-N 2.89Å; Q287-R290 PolarHBondContact O-N 3.45Å; Q287-S291 PolarHBondContact O-N 2.88Å; Q287-S291 PolarHBondContact O-OG 3.17Å
288	N	98.7	Very high	98.5	Very high	96 Å²	96	57.7 Å²	57.7	51%	0.513	28%	0.28	S	S	.	.	H	α-helix	trans	-61.3	-39.6	175.5	-72	-26.4	0	0	0	112.4	I284 R285 S286 A292	I284-N288 WeakPolarHBondContact O-CB 3.33Å; I284-N288 PolarHBondContact O-N 2.9Å; I284-N288 PolarHBondContact O-ND2 3.32Å; R285-N288 PolarHBondContact O-N 3.44Å; S286-N288 VanDerWaalsContact C-N 3.32Å; S286-N288 PolarHBondContact O-N 3.07Å; N288-A292 WeakPolarHBondContact O-CB 3.35Å; N288-A292 PolarHBondContact O-N 3.06Å
289	Q	98.6	Very high	98.4	Very high	46 Å²	46	58.3 Å²	58.3	22%	0.215	29%	0.285	C	S	.	.	H	α-helix	trans	-68.1	-36.7	175.4	-64.8	-48.8	-42.9	0	0	112.5	Q218 L222 T225 R285 S286 Q287 A292 S293	Q218-Q289 PolarHBondContact NE2-O 3.25Å; L222-Q289 HydrophobicContact CD2-CB 3.79Å; L222-Q289 HydrophobicContact CG-CB 4.49Å; T225-Q289 HydrophobicContact CG2-CB 4.47Å; T225-Q289 HydrophobicContact CG2-CG 3.59Å; R285-Q289 WeakPolarHBondContact O-CG 3.43Å; R285-Q289 PolarHBondContact O-N 3.07Å; S286-Q289 PolarHBondContact O-N 3.32Å; Q287-Q289 VanDerWaalsContact C-N 3.34Å; Q287-Q289 PolarHBondContact O-N 2.89Å; Q289-A292 PolarHBondContact O-N 2.94Å; Q289-S293 WeakPolarHBondContact O-CB 3.45Å; Q289-S293 PolarHBondContact O-N 2.77Å
290	R	98.6	Very high	98.4	Very high	54 Å²	54	58.3 Å²	58.3	20%	0.204	29%	0.285	C	S	.	.	H	α-helix	trans	-65.1	-48.1	174.5	-69.3	-164.6	-62.2	125.2	-7.9	111.5	E138 L141 E145 L222 S286 Q287 A292 S293 E294	E138-R290 IonicContact OE1-CZ 3.85Å; E138-R290 IonicContact OE1-NE 3.43Å; E138-R290 PolarHBondContact OE1-NE 3.19Å; E138-R290 IonicContact OE1-NH2 2.7Å; E138-R290 PolarHBondContact OE1-NH2 2.83Å; E138-R290 IonicContact OE2-CZ 3.86Å; E138-R290 IonicContact OE2-NE 2.87Å; E138-R290 IonicContact OE2-NH2 2.83Å; E138-R290 PolarHBondContact OE2-NH2 3.47Å; L141-R290 WeakPolarHBondContact O-CD 3.24Å; E145-R290 HydrophobicContact CB-CG 4.25Å; E145-R290 HydrophobicContact CG-CB 4.46Å; E145-R290 HydrophobicContact CG-CG 4.38Å; L222-R290 HydrophobicContact CD2-CG 4.11Å; S286-R290 PolarHBondContact O-N 2.88Å; Q287-R290 PolarHBondContact O-N 3.45Å; R290-A292 VanDerWaalsContact C-N 3.29Å; R290-A292 PolarHBondContact O-N 2.95Å; R290-S293 WeakPolarHBondContact O-CB 3.1Å; R290-S293 PolarHBondContact O-N 3.41Å; R290-S293 VanDerWaalsContact O-N 3.1Å; R290-E294 PolarHBondContact O-N 3.43Å
291	S	98.6	Very high	98.2	Very high	69 Å²	69	56.5 Å²	56.5	48%	0.483	28%	0.277	S	S	.	.	H	α-helix	trans	-61.7	-36.8	176.4	-60.6	0	0	0	0	112.5	Q287 N295	Q287-S291 PolarHBondContact O-N 2.88Å; Q287-S291 PolarHBondContact O-OG 3.17Å; S291-N295 WeakPolarHBondContact O-CB 3.21Å; S291-N295 PolarHBondContact O-N 2.88Å; S291-N295 VanDerWaalsContact O-N 3.14Å
292	A	98.6	Very high	98.1	Very high	41 Å²	41	56.6 Å²	56.6	34%	0.339	29%	0.286	S	S	.	.	H	α-helix	trans	-64.6	-41.1	173.5	0	0	0	0	0	112.2	N288 Q289 R290 L296	N288-A292 WeakPolarHBondContact O-CB 3.35Å; N288-A292 PolarHBondContact O-N 3.06Å; Q289-A292 PolarHBondContact O-N 2.94Å; R290-A292 VanDerWaalsContact C-N 3.29Å; R290-A292 PolarHBondContact O-N 2.95Å; A292-L296 WeakPolarHBondContact O-CB 3.11Å; A292-L296 PolarHBondContact O-N 2.87Å
293	S	98.7	Very high	97.9	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-65	-45.9	175.7	-176.5	0	0	0	0	112.5	E145 Q289 R290 N295 L296 R297	E145-S293 WeakPolarHBondContact CG-OG 3.36Å; E145-S293 WeakPolarHBondContact OE1-CB 3.47Å; E145-S293 PolarHBondContact OE1-OG 3.17Å; Q289-S293 WeakPolarHBondContact O-CB 3.45Å; Q289-S293 PolarHBondContact O-N 2.77Å; R290-S293 WeakPolarHBondContact O-CB 3.1Å; R290-S293 PolarHBondContact O-N 3.41Å; R290-S293 VanDerWaalsContact O-N 3.1Å; S293-N295 PolarHBondContact O-N 3.41Å; S293-L296 CarbonylContact O-C 3.29Å; S293-L296 WeakPolarHBondContact O-CA 3.44Å; S293-L296 WeakPolarHBondContact O-CB 3.43Å; S293-L296 PolarHBondContact O-N 2.97Å; S293-L296 VanDerWaalsContact O-N 3.1Å; S293-R297 WeakPolarHBondContact O-CG 3.24Å; S293-R297 PolarHBondContact O-N 2.99Å
294	E	98.5	Very high	97.8	Very high	101 Å²	101	57 Å²	57	47%	0.472	29%	0.29	S	S	.	.	H	α-helix	trans	-57.1	-50.7	177.4	-177.8	175	-160.6	0	0	111.6	E145 R290 L296 R297 E298	E145-E294 PolarHBondContact OE1-N 2.94Å; R290-E294 PolarHBondContact O-N 3.43Å; E294-L296 VanDerWaalsContact C-N 3.29Å; E294-L296 PolarHBondContact O-N 3.13Å; E294-R297 WeakPolarHBondContact O-CB 3.37Å; E294-R297 PolarHBondContact O-N 2.87Å; E294-E298 PolarHBondContact O-N 2.68Å
295	N	98.4	Very high	97.5	Very high	73 Å²	73	59.7 Å²	59.7	39%	0.39	30%	0.295	S	S	.	.	H	α-helix	trans	-60.7	-37.4	175.5	-174.6	-19.6	0	0	0	112.1	S291 S293 E298 K299	S291-N295 WeakPolarHBondContact O-CB 3.21Å; S291-N295 PolarHBondContact O-N 2.88Å; S291-N295 VanDerWaalsContact O-N 3.14Å; S293-N295 PolarHBondContact O-N 3.41Å; N295-E298 PolarHBondContact O-N 3.08Å; N295-K299 WeakPolarHBondContact O-CG 3.19Å; N295-K299 PolarHBondContact O-N 2.93Å; N295-K299 VanDerWaalsContact O-N 3.08Å; N295-K299 WeakPolarHBondContact OD1-CE 3.29Å; N295-K299 PolarHBondContact OD1-NZ 3.39Å
296	L	98.5	Very high	97.3	Very high	20 Å²	20	57.8 Å²	57.8	11%	0.105	30%	0.3	C	S	.	.	H	α-helix	trans	-65	-39.3	174.1	-179.7	59.8	0	0	0	111.7	L149 K214 A215 Q218 A292 S293 E294 K299 I300	L149-L296 HydrophobicContact CD1-CD2 4.45Å; K214-L296 HydrophobicContact CB-CD1 4.37Å; K214-L296 HydrophobicContact CB-CD2 4.39Å; A215-L296 HydrophobicContact CB-CD2 4.15Å; Q218-L296 HydrophobicContact CB-CD2 3.93Å; Q218-L296 HydrophobicContact CG-CD2 4.32Å; A292-L296 WeakPolarHBondContact O-CB 3.11Å; A292-L296 PolarHBondContact O-N 2.87Å; S293-L296 CarbonylContact O-C 3.29Å; S293-L296 WeakPolarHBondContact O-CA 3.44Å; S293-L296 WeakPolarHBondContact O-CB 3.43Å; S293-L296 PolarHBondContact O-N 2.97Å; S293-L296 VanDerWaalsContact O-N 3.1Å; E294-L296 VanDerWaalsContact C-N 3.29Å; E294-L296 PolarHBondContact O-N 3.13Å; L296-K299 WeakPolarHBondContact O-CB 3.38Å; L296-K299 PolarHBondContact O-N 3.29Å; L296-I300 HydrophobicContact CD1-CD1 4.38Å; L296-I300 HydrophobicContact CD1-CG1 4.45Å; L296-I300 HydrophobicContact CG-CD1 4.01Å; L296-I300 VanDerWaalsContact O-CG1 3.26Å; L296-I300 WeakPolarHBondContact O-CG1 3.46Å; L296-I300 PolarHBondContact O-N 3.43Å
297	R	98.2	Very high	97.1	Very high	41 Å²	41	58.4 Å²	58.4	16%	0.155	30%	0.303	C	S	.	.	H	α-helix	trans	-64.4	-41.6	176.7	-69.7	-164.4	-66.2	122.8	2.2	112	E145 L149 N152 S293 E294 K299 I300 D301	E145-R297 IonicContact OE1-CZ 3.76Å; E145-R297 IonicContact OE1-NE 3.96Å; E145-R297 PolarHBondContact OE1-NE 3.16Å; E145-R297 IonicContact OE1-NH2 2.71Å; E145-R297 PolarHBondContact OE1-NH2 3.41Å; E145-R297 IonicContact OE2-CZ 3.93Å; E145-R297 IonicContact OE2-NE 2.66Å; E145-R297 IonicContact OE2-NH2 3.71Å; E145-R297 PolarHBondContact OE2-NH2 3.43Å; L149-R297 HydrophobicContact CD1-CG 3.98Å; N152-R297 HydrophobicContact CB-CG 4.44Å; S293-R297 WeakPolarHBondContact O-CG 3.24Å; S293-R297 PolarHBondContact O-N 2.99Å; E294-R297 WeakPolarHBondContact O-CB 3.37Å; E294-R297 PolarHBondContact O-N 2.87Å; R297-K299 VanDerWaalsContact C-N 3.34Å; R297-K299 PolarHBondContact O-N 2.82Å; R297-I300 WeakPolarHBondContact O-CB 3.37Å; R297-I300 PolarHBondContact O-N 3.32Å; R297-D301 PolarHBondContact O-N 2.96Å
298	E	97.1	Very high	96.8	Very high	124 Å²	124	55.7 Å²	55.7	58%	0.579	29%	0.291	S	S	*	.	H	α-helix	trans	-61.2	-41.4	173.4	-67.8	179.6	170.7	0	0	112.3	E294 N295 I300 D301 S302	E294-E298 PolarHBondContact O-N 2.68Å; N295-E298 PolarHBondContact O-N 3.08Å; E298-I300 VanDerWaalsContact C-N 3.33Å; E298-I300 PolarHBondContact O-N 3.03Å; E298-D301 PolarHBondContact O-N 3.36Å; E298-S302 PolarHBondContact O-N 3.25Å; E298-S302 PolarHBondContact O-OG 3.01Å
299	K	97.5	Very high	96.5	Very high	109 Å²	109	53.2 Å²	53.2	47%	0.474	29%	0.288	S	S	.	.	H	α-helix	trans	-63.9	-38.6	174.1	-75.8	167.5	176.1	145.7	0	112.2	N295 L296 R297 S302 A303	N295-K299 WeakPolarHBondContact O-CG 3.19Å; N295-K299 PolarHBondContact O-N 2.93Å; N295-K299 VanDerWaalsContact O-N 3.08Å; N295-K299 WeakPolarHBondContact OD1-CE 3.29Å; N295-K299 PolarHBondContact OD1-NZ 3.39Å; L296-K299 WeakPolarHBondContact O-CB 3.38Å; L296-K299 PolarHBondContact O-N 3.29Å; R297-K299 VanDerWaalsContact C-N 3.34Å; R297-K299 PolarHBondContact O-N 2.82Å; K299-S302 WeakPolarHBondContact CA-OG 3.19Å; K299-S302 PolarHBondContact O-OG 2.92Å; K299-S302 VanDerWaalsContact O-OG 3.12Å; K299-A303 WeakPolarHBondContact O-CB 3.23Å; K299-A303 PolarHBondContact O-N 3.34Å
300	I	97.4	Very high	96.3	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-63.3	-48.1	176.1	-74	165.2	0	0	0	110.2	N152 L156 L211 A215 L296 R297 E298 A303 L304	N152-I300 HydrophobicContact CB-CD1 4.27Å; N152-I300 HydrophobicContact CB-CG2 4.38Å; L156-I300 HydrophobicContact CD1-CD1 3.84Å; L156-I300 HydrophobicContact CD1-CG1 4.04Å; L156-I300 HydrophobicContact CD1-CG2 4.09Å; L156-I300 HydrophobicContact CD2-CG2 3.9Å; L156-I300 HydrophobicContact CG-CG2 3.85Å; L211-I300 HydrophobicContact CB-CG1 4.43Å; L211-I300 HydrophobicContact CD2-CG1 4.26Å; A215-I300 HydrophobicContact CB-CD1 4.26Å; L296-I300 HydrophobicContact CD1-CD1 4.38Å; L296-I300 HydrophobicContact CD1-CG1 4.45Å; L296-I300 HydrophobicContact CG-CD1 4.01Å; L296-I300 VanDerWaalsContact O-CG1 3.26Å; L296-I300 WeakPolarHBondContact O-CG1 3.46Å; L296-I300 PolarHBondContact O-N 3.43Å; R297-I300 WeakPolarHBondContact O-CB 3.37Å; R297-I300 PolarHBondContact O-N 3.32Å; E298-I300 VanDerWaalsContact C-N 3.33Å; E298-I300 PolarHBondContact O-N 3.03Å; I300-A303 PolarHBondContact O-N 3.4Å; I300-L304 HydrophobicContact CG2-CD1 4.01Å; I300-L304 HydrophobicContact CG2-CG 4.49Å; I300-L304 WeakPolarHBondContact O-CB 3.41Å; I300-L304 WeakPolarHBondContact O-CG 3.2Å; I300-L304 PolarHBondContact O-N 3.01Å
301	D	94.7	Very high	96.1	Very high	35 Å²	35	51.4 Å²	51.4	19%	0.187	29%	0.289	C	S	.	.	H	α-helix	trans	-57.8	-57.1	178.1	174.4	28.6	0	0	0	111.5	R297 E298 A303 L304 R305 V468	R297-D301 PolarHBondContact O-N 2.96Å; E298-D301 PolarHBondContact O-N 3.36Å; D301-A303 VanDerWaalsContact C-N 3.29Å; D301-A303 PolarHBondContact O-N 2.96Å; D301-L304 PolarHBondContact O-N 2.82Å; D301-L304 VanDerWaalsContact O-N 3.09Å; D301-R305 PolarHBondContact O-N 2.8Å; D301-R305 IonicContact OD1-CZ 2.75Å; D301-R305 IonicContact OD1-NE 3.52Å; D301-R305 PolarHBondContact OD1-NE 3.44Å; D301-R305 IonicContact OD1-NH2 2.81Å; D301-R305 PolarHBondContact OD1-NH2 3.38Å; D301-R305 IonicContact OD2-CZ 3.57Å; D301-R305 IonicContact OD2-NE 2.73Å; D301-R305 PolarHBondContact OD2-NE 2.94Å; D301-R305 IonicContact OD2-NH2 3.51Å; D301-R305 PolarHBondContact OD2-NH2 3.47Å; D301-V468 HydrophobicContact CB-CG1 3.73Å; D301-V468 WeakPolarHBondContact OD1-CB 3.46Å; D301-V468 WeakPolarHBondContact OD1-CG1 3.46Å; D301-V468 VanDerWaalsContact OD1-CG2 3.3Å; D301-V468 WeakPolarHBondContact OD1-CG2 3.35Å
302	S	95.5	Very high	95.8	Very high	69 Å²	69	51.1 Å²	51.1	48%	0.483	28%	0.279	S	S	.	.	H	α-helix	trans	-58.4	-40.6	-178.7	52.8	0	0	0	0	112.7	E298 K299 S306	E298-S302 PolarHBondContact O-N 3.25Å; E298-S302 PolarHBondContact O-OG 3.01Å; K299-S302 WeakPolarHBondContact CA-OG 3.19Å; K299-S302 PolarHBondContact O-OG 2.92Å; K299-S302 VanDerWaalsContact O-OG 3.12Å; S302-S306 WeakPolarHBondContact O-CB 3.28Å; S302-S306 PolarHBondContact O-N 3.29Å
303	A	95.9	Very high	95.6	Very high	20 Å²	20	50.8 Å²	50.8	17%	0.165	28%	0.28	C	S	.	.	H	α-helix	trans	-64.1	-43.5	175.5	0	0	0	0	0	112.3	L207 L211 K299 I300 D301 S306 L307	L207-A303 HydrophobicContact CD2-CB 4.31Å; L211-A303 HydrophobicContact CD1-CB 3.74Å; K299-A303 WeakPolarHBondContact O-CB 3.23Å; K299-A303 PolarHBondContact O-N 3.34Å; I300-A303 PolarHBondContact O-N 3.4Å; D301-A303 VanDerWaalsContact C-N 3.29Å; D301-A303 PolarHBondContact O-N 2.96Å; A303-S306 PolarHBondContact O-N 2.97Å; A303-L307 VanDerWaalsContact O-CB 3.23Å; A303-L307 WeakPolarHBondContact O-CB 3.45Å; A303-L307 PolarHBondContact O-N 2.74Å
304	L	95.2	Very high	95.5	Very high	7 Å²	7	51.3 Å²	51.3	4%	0.037	28%	0.283	C	S	.	.	H	α-helix	trans	-63.6	-47.7	177.4	-78.1	177.8	0	0	0	111.3	L155 L156 N159 I208 I300 D301 S306 L307 I308	L155-L304 HydrophobicContact CD2-CD1 3.89Å; L155-L304 HydrophobicContact CG-CD1 3.93Å; L156-L304 HydrophobicContact CD2-CD1 4.21Å; L156-L304 HydrophobicContact CD2-CD2 4.07Å; L156-L304 HydrophobicContact CD2-CG 4.14Å; N159-L304 HydrophobicContact CB-CD2 3.69Å; I208-L304 HydrophobicContact CD1-CD2 4.22Å; I208-L304 HydrophobicContact CG1-CD2 4.28Å; I300-L304 HydrophobicContact CG2-CD1 4.01Å; I300-L304 HydrophobicContact CG2-CG 4.49Å; I300-L304 WeakPolarHBondContact O-CB 3.41Å; I300-L304 WeakPolarHBondContact O-CG 3.2Å; I300-L304 PolarHBondContact O-N 3.01Å; D301-L304 PolarHBondContact O-N 2.82Å; D301-L304 VanDerWaalsContact O-N 3.09Å; L304-S306 VanDerWaalsContact C-N 3.34Å; L304-S306 PolarHBondContact O-N 2.95Å; L304-L307 PolarHBondContact O-N 3.21Å; L304-I308 WeakPolarHBondContact O-CB 3.32Å; L304-I308 WeakPolarHBondContact O-CD1 3.47Å; L304-I308 WeakPolarHBondContact O-CG1 3.21Å; L304-I308 PolarHBondContact O-N 3.12Å
305	R	93	Very high	95.3	Very high	145 Å²	145	46.8 Å²	46.8	55%	0.547	26%	0.261	S	S	.	.	H	α-helix	trans	-57.6	-46.6	177.1	-66.7	-174	-161.3	-149.4	9.4	112	D301 L307 G309 V468	D301-R305 PolarHBondContact O-N 2.8Å; D301-R305 IonicContact OD1-CZ 2.75Å; D301-R305 IonicContact OD1-NE 3.52Å; D301-R305 PolarHBondContact OD1-NE 3.44Å; D301-R305 IonicContact OD1-NH2 2.81Å; D301-R305 PolarHBondContact OD1-NH2 3.38Å; D301-R305 IonicContact OD2-CZ 3.57Å; D301-R305 IonicContact OD2-NE 2.73Å; D301-R305 PolarHBondContact OD2-NE 2.94Å; D301-R305 IonicContact OD2-NH2 3.51Å; D301-R305 PolarHBondContact OD2-NH2 3.47Å; R305-L307 PolarHBondContact O-N 2.76Å; R305-G309 PolarHBondContact O-N 3.5Å; R305-V468 HydrophobicContact CG-CG2 4.32Å
306	S	94.8	Very high	95.1	Very high	80 Å²	80	45.9 Å²	45.9	56%	0.559	26%	0.258	S	S	*	.	H	α-helix	trans	-62.8	-42.5	178.4	-175.8	0	0	0	0	112	S302 A303 L304 S310	S302-S306 WeakPolarHBondContact O-CB 3.28Å; S302-S306 PolarHBondContact O-N 3.29Å; A303-S306 PolarHBondContact O-N 2.97Å; L304-S306 VanDerWaalsContact C-N 3.34Å; L304-S306 PolarHBondContact O-N 2.95Å; S306-S310 WeakPolarHBondContact O-CB 3.12Å; S306-S310 PolarHBondContact O-N 3.42Å; S306-S310 PolarHBondContact O-OG 2.84Å
307	L	94.8	Very high	95.1	Very high	13 Å²	13	48.2 Å²	48.2	7%	0.068	27%	0.273	C	S	.	.	H	α-helix	trans	-66.8	-48.1	-179.7	174.3	56.1	0	0	0	111.5	I163 I208 A303 L304 R305 G309 S310 V311	I163-L307 HydrophobicContact CD1-CD2 3.99Å; I208-L307 HydrophobicContact CD1-CD2 3.6Å; I208-L307 HydrophobicContact CG1-CD2 3.76Å; A303-L307 VanDerWaalsContact O-CB 3.23Å; A303-L307 WeakPolarHBondContact O-CB 3.45Å; A303-L307 PolarHBondContact O-N 2.74Å; L304-L307 PolarHBondContact O-N 3.21Å; R305-L307 PolarHBondContact O-N 2.76Å; L307-G309 VanDerWaalsContact C-N 3.32Å; L307-G309 PolarHBondContact O-N 3.37Å; L307-S310 WeakPolarHBondContact O-CB 3.3Å; L307-S310 PolarHBondContact O-N 3.45Å; L307-S310 VanDerWaalsContact O-N 3.12Å; L307-V311 HydrophobicContact CD1-CG2 3.83Å; L307-V311 HydrophobicContact CG-CG2 4.45Å; L307-V311 WeakPolarHBondContact O-CG2 3.47Å; L307-V311 PolarHBondContact O-N 2.89Å
308	I	91.8	Very high	95.1	Very high	26 Å²	26	46.2 Å²	46.2	13%	0.133	27%	0.266	C	S	.	.	H	α-helix	trans	-58.5	-46.8	178.5	-67.2	165.5	0	0	0	110.2	N159 L304 S310 V311 H312 L463 Y464	N159-I308 WeakPolarHBondContact OD1-CD1 3.47Å; L304-I308 WeakPolarHBondContact O-CB 3.32Å; L304-I308 WeakPolarHBondContact O-CD1 3.47Å; L304-I308 WeakPolarHBondContact O-CG1 3.21Å; L304-I308 PolarHBondContact O-N 3.12Å; I308-S310 VanDerWaalsContact C-N 3.31Å; I308-S310 PolarHBondContact O-N 3.22Å; I308-V311 PolarHBondContact O-N 3.16Å; I308-H312 WeakPolarHBondContact O-CB 3.38Å; I308-H312 PolarHBondContact O-N 2.96Å; I308-L463 HydrophobicContact CB-CD2 4.35Å; I308-L463 HydrophobicContact CD1-CD2 3.47Å; I308-L463 VanDerWaalsContact CD1-CD2 3.47Å; I308-L463 HydrophobicContact CD1-CG 3.98Å; I308-L463 HydrophobicContact CG1-CD2 3.5Å; I308-L463 HydrophobicContact CG2-CD2 3.93Å; I308-Y464 HydrophobicContact CG2-CD1 4.01Å; I308-Y464 HydrophobicContact CG2-CE1 3.54Å
309	G	92	Very high	95.1	Very high	43 Å²	43	42.3 Å²	42.3	44%	0.443	25%	0.249	S	C	.	.	H	α-helix	trans	-59.7	-40.4	175.9	0	0	0	0	0	112.8	R305 L307 G313	R305-G309 PolarHBondContact O-N 3.5Å; L307-G309 VanDerWaalsContact C-N 3.32Å; L307-G309 PolarHBondContact O-N 3.37Å; G309-G313 PolarHBondContact O-N 2.92Å
310	S	95.4	Very high	95.1	Very high	59 Å²	59	41.8 Å²	41.8	41%	0.413	25%	0.251	S	S	.	.	H	α-helix	trans	-67.4	-46.9	178.6	-59.4	0	0	0	0	112.5	S306 L307 I308 Q314	S306-S310 WeakPolarHBondContact O-CB 3.12Å; S306-S310 PolarHBondContact O-N 3.42Å; S306-S310 PolarHBondContact O-OG 2.84Å; L307-S310 WeakPolarHBondContact O-CB 3.3Å; L307-S310 PolarHBondContact O-N 3.45Å; L307-S310 VanDerWaalsContact O-N 3.12Å; I308-S310 VanDerWaalsContact C-N 3.31Å; I308-S310 PolarHBondContact O-N 3.22Å; S310-Q314 WeakPolarHBondContact O-CB 3.49Å; S310-Q314 PolarHBondContact O-N 2.77Å
311	V	94	Very high	95.1	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.024	26%	0.255	C	S	.	.	H	α-helix	trans	-62.7	-45.1	177.7	171.6	0	0	0	0	110.1	I163 P166 T200 V201 L307 I308 Q314 F315	I163-V311 HydrophobicContact CG2-CG2 4.43Å; P166-V311 HydrophobicContact CG-CG1 4.14Å; T200-V311 HydrophobicContact CG2-CG2 4.47Å; V201-V311 HydrophobicContact CG2-CG1 4.07Å; V201-V311 HydrophobicContact CG2-CG2 4.07Å; L307-V311 HydrophobicContact CD1-CG2 3.83Å; L307-V311 HydrophobicContact CG-CG2 4.45Å; L307-V311 WeakPolarHBondContact O-CG2 3.47Å; L307-V311 PolarHBondContact O-N 2.89Å; I308-V311 PolarHBondContact O-N 3.16Å; V311-Q314 PolarHBondContact O-N 2.92Å; V311-F315 WeakPolarHBondContact O-CB 3.42Å; V311-F315 PolarHBondContact O-N 2.99Å
312	H	92.4	Very high	95.2	Very high	62 Å²	62	40.6 Å²	40.6	29%	0.287	25%	0.246	S	C	.	.	H	α-helix	trans	-63.6	-49.1	178	-171.8	53.6	0	0	0	113	I308 Q314 F315 V316 Y464	I308-H312 WeakPolarHBondContact O-CB 3.38Å; I308-H312 PolarHBondContact O-N 2.96Å; H312-Q314 PolarHBondContact O-N 3.12Å; H312-F315 WeakPolarHBondContact O-CB 3.35Å; H312-F315 PolarHBondContact O-N 3.03Å; H312-F315 VanDerWaalsContact O-N 3.13Å; H312-V316 WeakPolarHBondContact O-CG2 3.42Å; H312-V316 PolarHBondContact O-N 2.87Å; H312-Y464 HydrophobicContact CB-CE1 4.11Å; H312-Y464 WeakPolarHBondContact CB-OH 3.48Å; H312-Y464 AromaticContact CG-CZ 3.64Å; H312-Y464 AromaticContact ND1-CZ 3.74Å; H312-Y464 PolarHBondContact ND1-OH 2.7Å
313	G	94.3	Very high	95.4	Very high	34 Å²	34	41.4 Å²	41.4	35%	0.351	24%	0.242	S	C	.	.	H	α-helix	trans	-58.8	-39	179	0	0	0	0	0	111.5	G309 T317	G309-G313 PolarHBondContact O-N 2.92Å; G313-T317 WeakPolarHBondContact O-CB 3.28Å; G313-T317 PolarHBondContact O-N 3.31Å; G313-T317 PolarHBondContact O-OG1 3.47Å
314	Q	96.6	Very high	95.5	Very high	12 Å²	12	43.5 Å²	43.5	6%	0.056	25%	0.254	C	S	.	.	H	α-helix	trans	-70.5	-39.8	176.2	-168.1	55.5	42.8	0	0	112.1	A193 E197 S310 V311 H312 V316 T317 V318	A193-Q314 PolarHBondContact O-NE2 3.31Å; E197-Q314 VanDerWaalsContact CA-CG 3.48Å; E197-Q314 HydrophobicContact CB-CG 3.77Å; E197-Q314 HydrophobicContact CG-CG 4.18Å; S310-Q314 WeakPolarHBondContact O-CB 3.49Å; S310-Q314 PolarHBondContact O-N 2.77Å; V311-Q314 PolarHBondContact O-N 2.92Å; H312-Q314 PolarHBondContact O-N 3.12Å; Q314-V316 VanDerWaalsContact C-N 3.34Å; Q314-V316 PolarHBondContact O-N 3.41Å; Q314-T317 WeakPolarHBondContact O-CB 3.27Å; Q314-T317 PolarHBondContact O-N 2.97Å; Q314-V318 VanDerWaalsContact O-CG2 3.24Å; Q314-V318 WeakPolarHBondContact O-CG2 3.3Å; Q314-V318 PolarHBondContact O-N 3.05Å
315	F	94.3	Very high	95.6	Very high	5 Å²	5	45 Å²	45	2%	0.022	26%	0.259	C	S	.	.	H	α-helix	trans	-58.7	-43.7	174.5	-178.9	-89.3	0	0	0	112.2	P166 E197 V311 H312 V318 N319 R451 F454	P166-F315 HydrophobicContact CB-CD2 4.14Å; E197-F315 WeakPolarHBondContact OE1-CA 3.41Å; E197-F315 VanDerWaalsContact OE1-CD2 3.28Å; E197-F315 WeakPolarHBondContact OE1-CD2 3.38Å; V311-F315 WeakPolarHBondContact O-CB 3.42Å; V311-F315 PolarHBondContact O-N 2.99Å; H312-F315 WeakPolarHBondContact O-CB 3.35Å; H312-F315 PolarHBondContact O-N 3.03Å; H312-F315 VanDerWaalsContact O-N 3.13Å; F315-V318 PolarHBondContact O-N 2.88Å; F315-N319 WeakPolarHBondContact CE1-ND2 3.45Å; F315-N319 PolarHBondContact O-N 3.32Å; F315-N319 VanDerWaalsContact O-N 3.12Å; F315-R451 HydrophobicContact CE2-CB 4.31Å; F315-R451 HydrophobicContact CE2-CG 4.49Å; F315-R451 HydrophobicContact CZ-CB 4.06Å; F315-R451 WeakPolarHBondContact CZ-O 3.49Å; F315-R451 PolarHBondContact O-NH2 3.44Å; F315-F454 HydrophobicContact CD1-CD1 4.18Å; F315-F454 AromaticContact CD2-CD1 3.63Å; F315-F454 HydrophobicContact CD2-CD1 3.63Å; F315-F454 HydrophobicContact CD2-CE1 4.13Å; F315-F454 HydrophobicContact CE1-CD1 4.03Å; F315-F454 WeakPolarHBondContact CE1-O 3.3Å; F315-F454 HydrophobicContact CE2-CB 3.96Å; F315-F454 AromaticContact CE2-CD1 3.52Å; F315-F454 HydrophobicContact CE2-CD1 3.52Å; F315-F454 HydrophobicContact CE2-CE1 4.45Å; F315-F454 HydrophobicContact CE2-CG 4.12Å; F315-F454 AromaticContact CG-CD1 4Å; F315-F454 HydrophobicContact CG-CD1 4Å; F315-F454 HydrophobicContact CG-CE1 4.24Å; F315-F454 HydrophobicContact CZ-CB 3.97Å; F315-F454 AromaticContact CZ-CD1 3.72Å; F315-F454 HydrophobicContact CZ-CD1 3.72Å; F315-F454 HydrophobicContact CZ-CG 4.34Å; F315-F454 VanDerWaalsContact CZ-O 3.3Å; F315-F454 WeakPolarHBondContact CZ-O 3.39Å
316	V	94.7	Very high	95.8	Very high	54 Å²	54	38.9 Å²	38.9	33%	0.327	24%	0.237	S	C	.	.	H	α-helix	trans	-65.8	-41.8	174.9	173.1	0	0	0	0	111.2	H312 Q314 V318 N319 N320	H312-V316 WeakPolarHBondContact O-CG2 3.42Å; H312-V316 PolarHBondContact O-N 2.87Å; Q314-V316 VanDerWaalsContact C-N 3.34Å; Q314-V316 PolarHBondContact O-N 3.41Å; V316-V318 VanDerWaalsContact C-N 3.29Å; V316-V318 PolarHBondContact O-N 2.89Å; V316-N319 PolarHBondContact O-N 2.92Å; V316-N320 PolarHBondContact O-N 3.39Å; V316-N320 PolarHBondContact O-ND2 3.14Å
317	T	97.7	Very high	96	Very high	69 Å²	69	38.9 Å²	38.9	42%	0.423	23%	0.23	S	C	.	.	H	α-helix	trans	-57.3	-43.7	177	-61.4	0	0	0	0	111.3	G313 Q314 N320 A321	G313-T317 WeakPolarHBondContact O-CB 3.28Å; G313-T317 PolarHBondContact O-N 3.31Å; G313-T317 PolarHBondContact O-OG1 3.47Å; Q314-T317 WeakPolarHBondContact O-CB 3.27Å; Q314-T317 PolarHBondContact O-N 2.97Å; T317-N320 PolarHBondContact O-N 3.36Å; T317-A321 WeakPolarHBondContact O-CB 3.45Å; T317-A321 PolarHBondContact O-N 3.21Å
318	V	97.5	Very high	96.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-66.1	-44.1	177.3	177.2	0	0	0	0	111.5	A193 L194 E197 Q314 F315 V316 N320 A321 L322 R451	A193-V318 HydrophobicContact CB-CB 4.47Å; A193-V318 HydrophobicContact CB-CG2 3.85Å; A193-V318 WeakPolarHBondContact O-CG2 3.34Å; L194-V318 HydrophobicContact CD2-CG1 3.53Å; L194-V318 HydrophobicContact CG-CG1 3.83Å; E197-V318 HydrophobicContact CB-CG2 4.04Å; E197-V318 WeakPolarHBondContact OE2-CG2 3.49Å; Q314-V318 VanDerWaalsContact O-CG2 3.24Å; Q314-V318 WeakPolarHBondContact O-CG2 3.3Å; Q314-V318 PolarHBondContact O-N 3.05Å; F315-V318 PolarHBondContact O-N 2.88Å; V316-V318 VanDerWaalsContact C-N 3.29Å; V316-V318 PolarHBondContact O-N 2.89Å; V318-N320 VanDerWaalsContact C-N 3.3Å; V318-N320 PolarHBondContact O-N 3.42Å; V318-A321 WeakPolarHBondContact O-CB 3.39Å; V318-A321 PolarHBondContact O-N 3.02Å; V318-A321 VanDerWaalsContact O-N 3.16Å; V318-L322 HydrophobicContact CG1-CD1 4.12Å; V318-L322 PolarHBondContact O-N 3.44Å; V318-R451 VanDerWaalsContact CG1-CZ 3.45Å
319	N	96.8	Very high	96.4	Very high	42 Å²	42	41.4 Å²	41.4	23%	0.225	24%	0.241	C	C	.	.	H	α-helix	trans	-59.5	-42.4	177.7	-71.9	-8	0	0	0	111.8	F315 V316 L322 Q323 R451	F315-N319 WeakPolarHBondContact CE1-ND2 3.45Å; F315-N319 PolarHBondContact O-N 3.32Å; F315-N319 VanDerWaalsContact O-N 3.12Å; V316-N319 PolarHBondContact O-N 2.92Å; N319-L322 PolarHBondContact O-N 2.83Å; N319-Q323 WeakPolarHBondContact O-CB 3.49Å; N319-Q323 PolarHBondContact O-N 3.32Å; N319-R451 WeakPolarHBondContact OD1-CD 3.34Å; N319-R451 PolarHBondContact OD1-NE 3.34Å
320	N	97.6	Very high	96.7	Very high	97 Å²	97	40.3 Å²	40.3	52%	0.519	23%	0.228	S	C	.	.	H	α-helix	trans	-66.1	-40.3	176.3	-69	-17.7	0	0	0	111.7	V316 T317 V318 Q323 T324	V316-N320 PolarHBondContact O-N 3.39Å; V316-N320 PolarHBondContact O-ND2 3.14Å; T317-N320 PolarHBondContact O-N 3.36Å; V318-N320 VanDerWaalsContact C-N 3.3Å; V318-N320 PolarHBondContact O-N 3.42Å; N320-Q323 PolarHBondContact O-N 3.16Å; N320-T324 WeakPolarHBondContact O-CB 3.45Å; N320-T324 PolarHBondContact O-N 3.39Å; N320-T324 PolarHBondContact O-OG1 3.18Å
321	A	98.2	Very high	96.8	Very high	11 Å²	11	42.3 Å²	42.3	9%	0.091	23%	0.234	C	C	.	.	H	α-helix	trans	-62.5	-45.4	175.4	0	0	0	0	0	111.4	I189 V190 A193 T317 V318 T324 R325	I189-A321 HydrophobicContact CD1-CB 4.29Å; I189-A321 HydrophobicContact CG1-CB 4.33Å; V190-A321 HydrophobicContact CG2-CB 4.06Å; V190-A321 WeakPolarHBondContact CG2-O 3.39Å; A193-A321 HydrophobicContact CB-CB 4.24Å; T317-A321 WeakPolarHBondContact O-CB 3.45Å; T317-A321 PolarHBondContact O-N 3.21Å; V318-A321 WeakPolarHBondContact O-CB 3.39Å; V318-A321 PolarHBondContact O-N 3.02Å; V318-A321 VanDerWaalsContact O-N 3.16Å; A321-T324 PolarHBondContact O-N 3.47Å; A321-R325 WeakPolarHBondContact O-CB 3.41Å; A321-R325 PolarHBondContact O-N 3.08Å
322	L	97.9	Very high	97	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-59.6	-48.7	175.6	-83	166.2	0	0	0	111.2	V190 V318 N319 T324 R325 I326 D444 C447 L448	V190-L322 HydrophobicContact CG1-CD2 3.58Å; V190-L322 HydrophobicContact CG1-CG 3.79Å; V190-L322 HydrophobicContact CG2-CD2 4.35Å; V190-L322 HydrophobicContact CG2-CG 4.45Å; V318-L322 HydrophobicContact CG1-CD1 4.12Å; V318-L322 PolarHBondContact O-N 3.44Å; N319-L322 PolarHBondContact O-N 2.83Å; L322-T324 VanDerWaalsContact C-N 3.31Å; L322-T324 PolarHBondContact O-N 2.87Å; L322-R325 PolarHBondContact O-N 3.13Å; L322-I326 WeakPolarHBondContact O-CB 3.2Å; L322-I326 VanDerWaalsContact O-CG1 3.27Å; L322-I326 WeakPolarHBondContact O-CG1 3.48Å; L322-I326 PolarHBondContact O-N 3.38Å; L322-D444 HydrophobicContact CD2-CB 4.16Å; L322-D444 WeakPolarHBondContact CD2-OD1 3.39Å; L322-C447 HydrophobicContact CD1-CB 4.28Å; L322-C447 HydrophobicContact CD2-CB 4.1Å; L322-L448 HydrophobicContact CB-CD1 4.12Å
323	Q	97.8	Very high	97.3	Very high	86 Å²	86	43.2 Å²	43.2	40%	0.402	24%	0.243	S	C	.	.	H	α-helix	trans	-61.6	-41.1	179.5	-172.1	60.3	64.8	0	0	112	N319 N320 N327 L448	N319-Q323 WeakPolarHBondContact O-CB 3.49Å; N319-Q323 PolarHBondContact O-N 3.32Å; N320-Q323 PolarHBondContact O-N 3.16Å; Q323-N327 PolarHBondContact NE2-OD1 2.64Å; Q323-N327 PolarHBondContact O-N 2.67Å; Q323-N327 VanDerWaalsContact O-N 3.16Å; Q323-N327 PolarHBondContact O-ND2 3.35Å; Q323-N327 PolarHBondContact O-OD1 3.15Å; Q323-L448 HydrophobicContact CB-CD1 4.45Å
324	T	98	Very high	97.5	Very high	65 Å²	65	45 Å²	45	40%	0.399	24%	0.244	S	C	.	.	H	α-helix	trans	-62.3	-47.4	175.6	-56.4	0	0	0	0	110.5	I189 N320 A321 L322 I326 N327 E328	I189-T324 HydrophobicContact CD1-CG2 4.17Å; N320-T324 WeakPolarHBondContact O-CB 3.45Å; N320-T324 PolarHBondContact O-N 3.39Å; N320-T324 PolarHBondContact O-OG1 3.18Å; A321-T324 PolarHBondContact O-N 3.47Å; L322-T324 VanDerWaalsContact C-N 3.31Å; L322-T324 PolarHBondContact O-N 2.87Å; T324-I326 PolarHBondContact O-N 2.87Å; T324-N327 WeakPolarHBondContact O-CB 3.49Å; T324-N327 PolarHBondContact O-N 3.22Å; T324-E328 WeakPolarHBondContact O-CG 3.43Å; T324-E328 PolarHBondContact O-N 3Å
325	R	97.4	Very high	97.6	Very high	39 Å²	39	49.4 Å²	49.4	15%	0.147	27%	0.268	C	S	.	.	H	α-helix	trans	-65	-39.9	-179.2	-168.7	58	173.5	145.4	10.3	112.8	D188 V190 A321 L322 N327 E328 V329	D188-R325 WeakPolarHBondContact OD2-CD 3.38Å; D188-R325 IonicContact OD2-CZ 3.04Å; D188-R325 IonicContact OD2-NE 2.81Å; D188-R325 PolarHBondContact OD2-NE 3.33Å; V190-R325 HydrophobicContact CG2-CB 3.61Å; V190-R325 HydrophobicContact CG2-CG 4.04Å; A321-R325 WeakPolarHBondContact O-CB 3.41Å; A321-R325 PolarHBondContact O-N 3.08Å; L322-R325 PolarHBondContact O-N 3.13Å; R325-N327 VanDerWaalsContact C-N 3.3Å; R325-N327 PolarHBondContact O-N 2.87Å; R325-E328 WeakPolarHBondContact CD-OE2 3.27Å; R325-E328 IonicContact CZ-OE2 3.83Å; R325-E328 IonicContact NH1-OE2 2.74Å; R325-E328 PolarHBondContact NH1-OE2 3.2Å; R325-E328 PolarHBondContact O-N 2.74Å; R325-V329 HydrophobicContact CG-CG2 4.42Å; R325-V329 VanDerWaalsContact O-CG2 3.31Å; R325-V329 WeakPolarHBondContact O-CG2 3.36Å; R325-V329 PolarHBondContact O-N 3.05Å
326	I	98	Very high	97.8	Very high	16 Å²	16	50.9 Å²	50.9	8%	0.082	28%	0.276	C	S	.	.	H	α-helix	trans	-57.2	-46.1	173.2	-72.7	167.3	0	0	0	110.4	L322 T324 V329 A330 L441 D444 Q445 L448	L322-I326 WeakPolarHBondContact O-CB 3.2Å; L322-I326 VanDerWaalsContact O-CG1 3.27Å; L322-I326 WeakPolarHBondContact O-CG1 3.48Å; L322-I326 PolarHBondContact O-N 3.38Å; T324-I326 PolarHBondContact O-N 2.87Å; I326-V329 PolarHBondContact O-N 3.48Å; I326-A330 VanDerWaalsContact O-CB 3.24Å; I326-A330 WeakPolarHBondContact O-CB 3.45Å; I326-A330 PolarHBondContact O-N 3.06Å; I326-L441 HydrophobicContact CG2-CD2 4.04Å; I326-L441 WeakPolarHBondContact O-CD2 3.27Å; I326-D444 HydrophobicContact CD1-CB 3.96Å; I326-D444 HydrophobicContact CG1-CB 3.53Å; I326-Q445 HydrophobicContact CD1-CG 4.33Å; I326-L448 HydrophobicContact CD1-CD1 3.71Å
327	N	98.2	Very high	97.9	Very high	80 Å²	80	52.5 Å²	52.5	43%	0.428	28%	0.276	S	S	.	.	H	α-helix	trans	-65	-42.1	-180	-65.2	-14.9	0	0	0	111.7	Q323 T324 R325 A330 N331	Q323-N327 PolarHBondContact NE2-OD1 2.64Å; Q323-N327 PolarHBondContact O-N 2.67Å; Q323-N327 VanDerWaalsContact O-N 3.16Å; Q323-N327 PolarHBondContact O-ND2 3.35Å; Q323-N327 PolarHBondContact O-OD1 3.15Å; T324-N327 WeakPolarHBondContact O-CB 3.49Å; T324-N327 PolarHBondContact O-N 3.22Å; R325-N327 VanDerWaalsContact C-N 3.3Å; R325-N327 PolarHBondContact O-N 2.87Å; N327-A330 PolarHBondContact O-N 2.81Å; N327-N331 WeakPolarHBondContact O-CB 3.36Å; N327-N331 PolarHBondContact O-N 3.01Å; N327-N331 PolarHBondContact O-ND2 3.49Å
328	E	97.7	Very high	98	Very high	88 Å²	88	53.1 Å²	53.1	41%	0.411	28%	0.276	S	S	.	.	H	α-helix	trans	-60	-48.9	175.7	-71.4	173.2	-176.4	0	0	112.3	T324 R325 N331 A332	T324-E328 WeakPolarHBondContact O-CG 3.43Å; T324-E328 PolarHBondContact O-N 3Å; R325-E328 WeakPolarHBondContact CD-OE2 3.27Å; R325-E328 IonicContact CZ-OE2 3.83Å; R325-E328 IonicContact NH1-OE2 2.74Å; R325-E328 PolarHBondContact NH1-OE2 3.2Å; R325-E328 PolarHBondContact O-N 2.74Å; E328-N331 PolarHBondContact O-N 2.91Å; E328-A332 WeakPolarHBondContact O-CB 3.48Å; E328-A332 PolarHBondContact O-N 2.69Å
329	V	97.8	Very high	98	Very high	3 Å²	3	55.5 Å²	55.5	2%	0.018	29%	0.293	C	S	.	.	H	α-helix	trans	-68.1	-37.7	-178.9	-179.6	0	0	0	0	110.7	R325 I326 A332 R333 K437 L441	R325-V329 HydrophobicContact CG-CG2 4.42Å; R325-V329 VanDerWaalsContact O-CG2 3.31Å; R325-V329 WeakPolarHBondContact O-CG2 3.36Å; R325-V329 PolarHBondContact O-N 3.05Å; I326-V329 PolarHBondContact O-N 3.48Å; V329-A332 PolarHBondContact O-N 2.9Å; V329-R333 WeakPolarHBondContact O-CB 3.46Å; V329-R333 PolarHBondContact O-N 3.08Å; V329-K437 HydrophobicContact CG1-CB 3.92Å; V329-K437 HydrophobicContact CG1-CD 3.95Å; V329-K437 HydrophobicContact CG1-CG 4.47Å; V329-L441 HydrophobicContact CB-CD2 3.96Å; V329-L441 HydrophobicContact CB-CG 4.19Å; V329-L441 HydrophobicContact CG1-CD1 4.26Å; V329-L441 HydrophobicContact CG1-CD2 4.04Å; V329-L441 HydrophobicContact CG1-CG 3.68Å
330	A	98.2	Very high	98.1	Very high	20 Å²	20	55.1 Å²	55.1	17%	0.165	29%	0.291	C	S	.	.	H	α-helix	trans	-62.2	-46.4	174.9	0	0	0	0	0	111.6	I326 N327 A332 R333 D334 L441	I326-A330 VanDerWaalsContact O-CB 3.24Å; I326-A330 WeakPolarHBondContact O-CB 3.45Å; I326-A330 PolarHBondContact O-N 3.06Å; N327-A330 PolarHBondContact O-N 2.81Å; A330-A332 PolarHBondContact O-N 2.89Å; A330-R333 PolarHBondContact O-N 3.44Å; A330-D334 WeakPolarHBondContact O-CB 3.25Å; A330-D334 PolarHBondContact O-N 3.45Å; A330-L441 HydrophobicContact CB-CD1 4.43Å; A330-L441 HydrophobicContact CB-CD2 4.14Å
331	N	98.3	Very high	98.1	Very high	102 Å²	102	59.2 Å²	59.2	55%	0.545	30%	0.299	S	S	.	.	H	α-helix	trans	-61.9	-42.6	176.2	-71.5	-22.2	0	0	0	111.8	N327 E328 D334 N335	N327-N331 WeakPolarHBondContact O-CB 3.36Å; N327-N331 PolarHBondContact O-N 3.01Å; N327-N331 PolarHBondContact O-ND2 3.49Å; E328-N331 PolarHBondContact O-N 2.91Å; N331-D334 PolarHBondContact O-N 3.2Å; N331-N335 PolarHBondContact O-N 3.28Å; N331-N335 PolarHBondContact O-ND2 3.21Å
332	A	98.1	Very high	98.1	Very high	36 Å²	36	64.9 Å²	64.9	30%	0.298	32%	0.321	S	S	.	.	H	α-helix	trans	-61.2	-47.4	176.1	0	0	0	0	0	111.6	E328 V329 A330 D334 N335 L336 K437	E328-A332 WeakPolarHBondContact O-CB 3.48Å; E328-A332 PolarHBondContact O-N 2.69Å; V329-A332 PolarHBondContact O-N 2.9Å; A330-A332 PolarHBondContact O-N 2.89Å; A332-D334 VanDerWaalsContact C-N 3.32Å; A332-D334 PolarHBondContact O-N 3.23Å; A332-N335 PolarHBondContact O-N 2.93Å; A332-L336 VanDerWaalsContact O-CG 3.32Å; A332-L336 WeakPolarHBondContact O-CG 3.24Å; A332-L336 PolarHBondContact O-N 3.23Å; A332-K437 HydrophobicContact CB-CD 4.39Å
333	R	98.2	Very high	98.1	Very high	49 Å²	49	65.9 Å²	65.9	19%	0.185	33%	0.328	C	S	.	.	H	α-helix	trans	-57.8	-43.7	175.1	-176	-158.1	63.3	-158.9	-7.8	111.7	V329 A330 L336 R337 I434 K437 E438 L441	V329-R333 WeakPolarHBondContact O-CB 3.46Å; V329-R333 PolarHBondContact O-N 3.08Å; A330-R333 PolarHBondContact O-N 3.44Å; R333-L336 WeakPolarHBondContact O-CB 3.46Å; R333-L336 PolarHBondContact O-N 3.36Å; R333-R337 WeakPolarHBondContact O-CG 3.32Å; R333-R337 PolarHBondContact O-N 3.23Å; R333-I434 HydrophobicContact CG-CG2 4.23Å; R333-K437 HydrophobicContact CB-CB 3.84Å; R333-K437 HydrophobicContact CB-CG 4.37Å; R333-K437 HydrophobicContact CG-CB 4.2Å; R333-E438 HydrophobicContact CG-CG 4.46Å; R333-L441 VanDerWaalsContact NH1-CD1 3.33Å
334	D	98.3	Very high	98.2	Very high	70 Å²	70	64.9 Å²	64.9	37%	0.374	33%	0.327	S	S	.	.	H	α-helix	trans	-70	-35.5	-176.7	-67.1	-13.1	0	0	0	111.8	A330 N331 A332 R337 L338	A330-D334 WeakPolarHBondContact O-CB 3.25Å; A330-D334 PolarHBondContact O-N 3.45Å; N331-D334 PolarHBondContact O-N 3.2Å; A332-D334 VanDerWaalsContact C-N 3.32Å; A332-D334 PolarHBondContact O-N 3.23Å; D334-R337 PolarHBondContact O-N 2.95Å; D334-R337 IonicContact OD1-NH1 3.95Å; D334-L338 PolarHBondContact O-N 3.47Å
335	N	98.5	Very high	98.2	Very high	106 Å²	106	66.6 Å²	66.6	57%	0.567	33%	0.331	S	S	*	.	H	α-helix	trans	-64.5	-39.7	170	-73.1	-30.7	0	0	0	112.6	N331 A332 L338 S339	N331-N335 PolarHBondContact O-N 3.28Å; N331-N335 PolarHBondContact O-ND2 3.21Å; A332-N335 PolarHBondContact O-N 2.93Å; N335-L338 PolarHBondContact O-N 2.96Å; N335-S339 WeakPolarHBondContact O-CB 3.39Å; N335-S339 PolarHBondContact O-N 3.45Å; N335-S339 PolarHBondContact O-OG 3.46Å
336	L	98.4	Very high	98.2	Very high	35 Å²	35	69.7 Å²	69.7	18%	0.183	35%	0.347	C	S	.	.	H	α-helix	trans	-64.9	-43.3	174.1	-69.2	167.9	0	0	0	111.2	A332 R333 L338 S339 L340 L430 E433 I434 K437	A332-L336 VanDerWaalsContact O-CG 3.32Å; A332-L336 WeakPolarHBondContact O-CG 3.24Å; A332-L336 PolarHBondContact O-N 3.23Å; R333-L336 WeakPolarHBondContact O-CB 3.46Å; R333-L336 PolarHBondContact O-N 3.36Å; L336-L338 VanDerWaalsContact C-N 3.35Å; L336-L338 PolarHBondContact O-N 2.95Å; L336-S339 WeakPolarHBondContact O-CB 3.49Å; L336-S339 PolarHBondContact O-N 2.96Å; L336-L340 WeakPolarHBondContact O-CB 3.39Å; L336-L340 PolarHBondContact O-N 2.89Å; L336-L430 HydrophobicContact CD2-CD2 3.65Å; L336-E433 HydrophobicContact CD1-CB 3.9Å; L336-E433 HydrophobicContact CD2-CB 4.43Å; L336-I434 HydrophobicContact CB-CD1 4.19Å; L336-I434 HydrophobicContact CB-CG1 3.63Å; L336-I434 HydrophobicContact CD1-CG1 4.43Å; L336-K437 HydrophobicContact CD1-CG 3.97Å
337	R	98.4	Very high	98.2	Very high	88 Å²	88	69.3 Å²	69.3	33%	0.332	35%	0.345	S	S	.	.	H	α-helix	trans	-61.9	-40.3	175.2	-75.7	172.5	169	-172.2	-6.9	112.2	R333 D334 L340 R341 I434 E438	R333-R337 WeakPolarHBondContact O-CG 3.32Å; R333-R337 PolarHBondContact O-N 3.23Å; D334-R337 PolarHBondContact O-N 2.95Å; D334-R337 IonicContact OD1-NH1 3.95Å; R337-L340 PolarHBondContact O-N 3.41Å; R337-R341 WeakPolarHBondContact O-CG 3.43Å; R337-R341 PolarHBondContact O-N 3.27Å; R337-I434 HydrophobicContact CB-CD1 4.46Å; R337-I434 HydrophobicContact CG-CD1 3.78Å; R337-I434 HydrophobicContact CG-CG1 4.17Å; R337-I434 HydrophobicContact CG-CG2 4.3Å; R337-E438 IonicContact CZ-OE1 3.47Å; R337-E438 IonicContact NE-OE1 3.52Å; R337-E438 IonicContact NH2-OE1 3.55Å; R337-E438 PolarHBondContact NH2-OE1 3.38Å
338	L	98.3	Very high	98.1	Very high	82 Å²	82	71.5 Å²	71.5	43%	0.429	35%	0.348	S	S	.	.	H	α-helix	trans	-63.1	-43.4	173.8	-179.1	63.4	0	0	0	111.4	D334 N335 L336 R341 K342	D334-L338 PolarHBondContact O-N 3.47Å; N335-L338 PolarHBondContact O-N 2.96Å; L336-L338 VanDerWaalsContact C-N 3.35Å; L336-L338 PolarHBondContact O-N 2.95Å; L338-R341 PolarHBondContact O-N 3.47Å; L338-K342 WeakPolarHBondContact O-CG 3.22Å; L338-K342 PolarHBondContact O-N 2.9Å; L338-K342 VanDerWaalsContact O-N 3.14Å
339	S	98.4	Very high	98.1	Very high	51 Å²	51	71.5 Å²	71.5	36%	0.357	35%	0.348	S	S	.	.	H	α-helix	trans	-64.5	-41	177	-57.2	0	0	0	0	111.6	N335 L336 R341 K342 V343	N335-S339 WeakPolarHBondContact O-CB 3.39Å; N335-S339 PolarHBondContact O-N 3.45Å; N335-S339 PolarHBondContact O-OG 3.46Å; L336-S339 WeakPolarHBondContact O-CB 3.49Å; L336-S339 PolarHBondContact O-N 2.96Å; S339-R341 PolarHBondContact O-N 3.29Å; S339-K342 PolarHBondContact O-N 3.49Å; S339-V343 WeakPolarHBondContact O-CG2 3.48Å; S339-V343 PolarHBondContact O-N 3.42Å
340	L	98.3	Very high	98.1	Very high	33 Å²	33	72.1 Å²	72.1	17%	0.173	35%	0.352	C	S	.	.	H	α-helix	trans	-59.4	-45.6	175.1	179.1	63.1	0	0	0	111.1	L336 R337 K342 V343 T344 R427 L430 E431 I434	L336-L340 WeakPolarHBondContact O-CB 3.39Å; L336-L340 PolarHBondContact O-N 2.89Å; R337-L340 PolarHBondContact O-N 3.41Å; L340-K342 VanDerWaalsContact C-N 3.33Å; L340-K342 PolarHBondContact O-N 2.93Å; L340-V343 PolarHBondContact O-N 3.28Å; L340-T344 WeakPolarHBondContact O-CB 3.5Å; L340-T344 PolarHBondContact O-N 2.95Å; L340-T344 PolarHBondContact O-OG1 2.97Å; L340-R427 HydrophobicContact CD1-CB 4.4Å; L340-R427 HydrophobicContact CD1-CG 3.45Å; L340-R427 VanDerWaalsContact CD1-CG 3.45Å; L340-L430 HydrophobicContact CB-CB 4.36Å; L340-L430 HydrophobicContact CB-CD1 4.35Å; L340-L430 HydrophobicContact CD1-CB 4.13Å; L340-E431 HydrophobicContact CD1-CG 4.07Å; L340-E431 HydrophobicContact CD2-CG 4.07Å; L340-I434 HydrophobicContact CB-CD1 4.18Å; L340-I434 HydrophobicContact CD2-CD1 3.69Å
341	R	98.3	Very high	98.1	Very high	183 Å²	183	75.6 Å²	75.6	69%	0.691	37%	0.365	S	S	*	.	H	α-helix	trans	-58.1	-44.5	175.5	-71.9	174.7	-172.2	171.4	2.6	112.1	R337 L338 S339 T344 Q345	R337-R341 WeakPolarHBondContact O-CG 3.43Å; R337-R341 PolarHBondContact O-N 3.27Å; L338-R341 PolarHBondContact O-N 3.47Å; S339-R341 PolarHBondContact O-N 3.29Å; R341-T344 PolarHBondContact O-N 2.91Å; R341-Q345 PolarHBondContact O-N 3.48Å
342	K	98.4	Very high	98.1	Very high	130 Å²	130	74.2 Å²	74.2	57%	0.565	36%	0.358	S	S	*	.	H	α-helix	trans	-63.5	-46.6	177.4	-68.9	176.7	179.8	-178.4	0	111.7	L338 S339 L340 T344 Q345 E346	L338-K342 WeakPolarHBondContact O-CG 3.22Å; L338-K342 PolarHBondContact O-N 2.9Å; L338-K342 VanDerWaalsContact O-N 3.14Å; S339-K342 PolarHBondContact O-N 3.49Å; L340-K342 VanDerWaalsContact C-N 3.33Å; L340-K342 PolarHBondContact O-N 2.93Å; K342-T344 VanDerWaalsContact C-N 3.32Å; K342-T344 PolarHBondContact O-N 2.94Å; K342-Q345 PolarHBondContact O-N 3.12Å; K342-E346 WeakPolarHBondContact O-CG 3.36Å; K342-E346 PolarHBondContact O-N 3.36Å
343	V	98.2	Very high	98.1	Very high	21 Å²	21	76.7 Å²	76.7	13%	0.127	37%	0.365	C	S	.	.	H	α-helix	trans	-61.6	-40.6	176.9	169.8	0	0	0	0	111.3	S339 L340 E346 L347 L423 R427 L430	S339-V343 WeakPolarHBondContact O-CG2 3.48Å; S339-V343 PolarHBondContact O-N 3.42Å; L340-V343 PolarHBondContact O-N 3.28Å; V343-E346 PolarHBondContact O-N 2.75Å; V343-L347 HydrophobicContact CG1-CD1 4.42Å; V343-L347 WeakPolarHBondContact O-CG 3.38Å; V343-L347 PolarHBondContact O-N 3.05Å; V343-L423 HydrophobicContact CG1-CB 4.45Å; V343-L423 HydrophobicContact CG1-CD2 4.21Å; V343-R427 HydrophobicContact CG1-CB 4.17Å; V343-L430 HydrophobicContact CB-CD1 4.39Å; V343-L430 HydrophobicContact CG2-CD1 3.93Å
344	T	97.9	Very high	98	Very high	65 Å²	65	75.6 Å²	75.6	40%	0.399	36%	0.363	S	S	.	.	H	α-helix	trans	-65.6	-37.5	176.2	-62.1	0	0	0	0	112.4	L340 R341 K342 L347 Y348	L340-T344 WeakPolarHBondContact O-CB 3.5Å; L340-T344 PolarHBondContact O-N 2.95Å; L340-T344 PolarHBondContact O-OG1 2.97Å; R341-T344 PolarHBondContact O-N 2.91Å; K342-T344 VanDerWaalsContact C-N 3.32Å; K342-T344 PolarHBondContact O-N 2.94Å; T344-L347 WeakPolarHBondContact O-CB 3.24Å; T344-L347 PolarHBondContact O-N 3.35Å; T344-Y348 PolarHBondContact O-N 3.41Å
345	Q	97.9	Very high	98	Very high	101 Å²	101	74.2 Å²	74.2	47%	0.472	37%	0.365	S	S	.	.	H	α-helix	trans	-63.5	-48.5	172.1	-174.8	63.9	33.4	0	0	111.2	R341 K342 L347 Y348 E349	R341-Q345 PolarHBondContact O-N 3.48Å; K342-Q345 PolarHBondContact O-N 3.12Å; Q345-L347 VanDerWaalsContact C-N 3.28Å; Q345-L347 PolarHBondContact O-N 3.45Å; Q345-Y348 WeakPolarHBondContact O-CB 3.4Å; Q345-Y348 PolarHBondContact O-N 3.06Å; Q345-Y348 VanDerWaalsContact O-N 3.09Å; Q345-E349 PolarHBondContact NE2-OE1 3.47Å; Q345-E349 WeakPolarHBondContact O-CG 3.14Å; Q345-E349 PolarHBondContact O-N 3.06Å
346	E	97.9	Very high	97.9	Very high	105 Å²	105	71.5 Å²	71.5	49%	0.491	36%	0.357	S	S	.	.	H	α-helix	trans	-61.5	-35.2	178.1	-69.8	-61.7	147.9	0	0	112.5	K342 V343 Y348 E349 V350 L423	K342-E346 WeakPolarHBondContact O-CG 3.36Å; K342-E346 PolarHBondContact O-N 3.36Å; V343-E346 PolarHBondContact O-N 2.75Å; E346-Y348 VanDerWaalsContact C-N 3.35Å; E346-Y348 PolarHBondContact O-N 2.68Å; E346-E349 PolarHBondContact O-N 3.22Å; E346-V350 WeakPolarHBondContact O-CB 3.46Å; E346-V350 VanDerWaalsContact O-CG2 3.25Å; E346-V350 WeakPolarHBondContact O-CG2 3.37Å; E346-V350 PolarHBondContact O-N 3.35Å; E346-L423 HydrophobicContact CB-CD1 4.02Å; E346-L423 HydrophobicContact CB-CD2 4.39Å
347	L	97.4	Very high	97.9	Very high	7 Å²	7	70.8 Å²	70.8	4%	0.037	35%	0.353	C	S	.	.	H	α-helix	trans	-57.1	-49.1	171.9	-80.8	171.7	0	0	0	111.1	V343 T344 Q345 V350 E351 L420 L423 Q424 R427	V343-L347 HydrophobicContact CG1-CD1 4.42Å; V343-L347 WeakPolarHBondContact O-CG 3.38Å; V343-L347 PolarHBondContact O-N 3.05Å; T344-L347 WeakPolarHBondContact O-CB 3.24Å; T344-L347 PolarHBondContact O-N 3.35Å; Q345-L347 VanDerWaalsContact C-N 3.28Å; Q345-L347 PolarHBondContact O-N 3.45Å; L347-V350 PolarHBondContact O-N 2.84Å; L347-E351 WeakPolarHBondContact O-CB 3.31Å; L347-E351 VanDerWaalsContact O-CG 3.28Å; L347-E351 WeakPolarHBondContact O-CG 3.43Å; L347-E351 PolarHBondContact O-N 3.28Å; L347-L420 HydrophobicContact CD2-CD1 3.58Å; L347-L420 HydrophobicContact CD2-CG 4.36Å; L347-L423 HydrophobicContact CD2-CB 3.38Å; L347-L423 HydrophobicContact CD2-CD1 4.3Å; L347-L423 HydrophobicContact CD2-CG 4.49Å; L347-L423 HydrophobicContact CG-CB 3.85Å; L347-Q424 HydrophobicContact CD2-CG 3.78Å; L347-R427 HydrophobicContact CD1-CB 4.2Å; L347-R427 HydrophobicContact CD1-CG 4.41Å
348	Y	97.5	Very high	97.8	Very high	127 Å²	127	72 Å²	72	50%	0.498	36%	0.361	S	S	.	.	H	α-helix	trans	-61.7	-44	178.1	178.3	-102.6	0	0	0	112.2	T344 Q345 E346 V350 E351 N352	T344-Y348 PolarHBondContact O-N 3.41Å; Q345-Y348 WeakPolarHBondContact O-CB 3.4Å; Q345-Y348 PolarHBondContact O-N 3.06Å; Q345-Y348 VanDerWaalsContact O-N 3.09Å; E346-Y348 VanDerWaalsContact C-N 3.35Å; E346-Y348 PolarHBondContact O-N 2.68Å; Y348-V350 PolarHBondContact O-N 3.27Å; Y348-E351 PolarHBondContact O-N 3.31Å; Y348-N352 WeakPolarHBondContact CD1-ND2 3.34Å; Y348-N352 WeakPolarHBondContact CE1-ND2 3.2Å; Y348-N352 PolarHBondContact O-N 3.21Å; Y348-N352 PolarHBondContact O-ND2 3.35Å
349	E	98.1	Very high	97.8	Very high	88 Å²	88	74.8 Å²	74.8	41%	0.411	37%	0.37	S	S	.	.	H	α-helix	trans	-63.8	-41.7	177.4	-62.8	-56.2	158.8	0	0	112.3	Q345 E346 N352 L353	Q345-E349 PolarHBondContact NE2-OE1 3.47Å; Q345-E349 WeakPolarHBondContact O-CG 3.14Å; Q345-E349 PolarHBondContact O-N 3.06Å; E346-E349 PolarHBondContact O-N 3.22Å; E349-N352 PolarHBondContact O-N 3.32Å; E349-L353 WeakPolarHBondContact O-CB 3.45Å; E349-L353 PolarHBondContact O-N 3.01Å
350	V	97.8	Very high	97.7	Very high	15 Å²	15	74.9 Å²	74.9	9%	0.091	37%	0.368	C	S	.	.	H	α-helix	trans	-68.8	-36.8	177.6	173.9	0	0	0	0	111.4	E346 L347 Y348 L353 I354 A416 T419 L420 L423	E346-V350 WeakPolarHBondContact O-CB 3.46Å; E346-V350 VanDerWaalsContact O-CG2 3.25Å; E346-V350 WeakPolarHBondContact O-CG2 3.37Å; E346-V350 PolarHBondContact O-N 3.35Å; L347-V350 PolarHBondContact O-N 2.84Å; Y348-V350 PolarHBondContact O-N 3.27Å; V350-L353 PolarHBondContact O-N 3.33Å; V350-I354 HydrophobicContact CG1-CD1 4Å; V350-I354 HydrophobicContact CG1-CG1 4.46Å; V350-I354 VanDerWaalsContact O-CG1 3.25Å; V350-I354 WeakPolarHBondContact O-CG1 3.4Å; V350-I354 PolarHBondContact O-N 3.32Å; V350-A416 HydrophobicContact CG1-CB 4.38Å; V350-A416 WeakPolarHBondContact CG1-O 3.44Å; V350-T419 HydrophobicContact CG2-CG2 4.35Å; V350-L420 HydrophobicContact CB-CD1 4.28Å; V350-L420 HydrophobicContact CG1-CB 3.95Å; V350-L420 HydrophobicContact CG1-CD1 4.04Å; V350-L423 HydrophobicContact CG2-CD1 4.05Å
351	E	97.5	Very high	97.7	Very high	94 Å²	94	73.5 Å²	73.5	44%	0.439	36%	0.361	S	S	.	.	H	α-helix	trans	-61.8	-46.3	172.9	-75.6	174.2	169.4	0	0	111.5	L347 Y348 L353 I354 G355 L420	L347-E351 WeakPolarHBondContact O-CB 3.31Å; L347-E351 VanDerWaalsContact O-CG 3.28Å; L347-E351 WeakPolarHBondContact O-CG 3.43Å; L347-E351 PolarHBondContact O-N 3.28Å; Y348-E351 PolarHBondContact O-N 3.31Å; E351-L353 VanDerWaalsContact C-N 3.34Å; E351-L353 PolarHBondContact O-N 2.91Å; E351-I354 PolarHBondContact O-N 3.47Å; E351-G355 PolarHBondContact O-N 3.38Å; E351-L420 HydrophobicContact CG-CD1 3.63Å; E351-L420 HydrophobicContact CG-CD2 4.21Å
352	N	97.8	Very high	97.6	Very high	73 Å²	73	68.8 Å²	68.8	39%	0.39	35%	0.35	S	S	.	.	H	α-helix	trans	-60.5	-43.1	174.2	-73.5	-24.2	0	0	0	111.7	Y348 E349 G355 A356	Y348-N352 WeakPolarHBondContact CD1-ND2 3.34Å; Y348-N352 WeakPolarHBondContact CE1-ND2 3.2Å; Y348-N352 PolarHBondContact O-N 3.21Å; Y348-N352 PolarHBondContact O-ND2 3.35Å; E349-N352 PolarHBondContact O-N 3.32Å; N352-G355 PolarHBondContact O-N 3.47Å; N352-A356 WeakPolarHBondContact O-CB 3.13Å; N352-A356 PolarHBondContact O-N 3.25Å
353	L	97.9	Very high	97.5	Very high	87 Å²	87	66.7 Å²	66.7	46%	0.455	35%	0.345	S	S	.	.	H	α-helix	trans	-61.7	-43.3	176.3	177.8	61.9	0	0	0	111.7	E349 V350 E351 G355 A356 L357	E349-L353 WeakPolarHBondContact O-CB 3.45Å; E349-L353 PolarHBondContact O-N 3.01Å; V350-L353 PolarHBondContact O-N 3.33Å; E351-L353 VanDerWaalsContact C-N 3.34Å; E351-L353 PolarHBondContact O-N 2.91Å; L353-G355 VanDerWaalsContact C-N 3.3Å; L353-G355 PolarHBondContact O-N 3.41Å; L353-A356 PolarHBondContact O-N 2.9Å; L353-L357 HydrophobicContact CD1-CD1 4.11Å; L353-L357 HydrophobicContact CD1-CG 4.08Å; L353-L357 HydrophobicContact CG-CD1 3.92Å; L353-L357 HydrophobicContact CG-CG 4.35Å; L353-L357 WeakPolarHBondContact O-CB 3.35Å; L353-L357 VanDerWaalsContact O-CG 3.24Å; L353-L357 WeakPolarHBondContact O-CG 3.4Å; L353-L357 PolarHBondContact O-N 3.47Å
354	I	97.7	Very high	97.4	Very high	27 Å²	27	69 Å²	69	14%	0.138	35%	0.353	C	S	.	.	H	α-helix	trans	-60.1	-43.1	175.3	-71.6	163.6	0	0	0	110.4	V350 E351 K358 R413 A416 L420	V350-I354 HydrophobicContact CG1-CD1 4Å; V350-I354 HydrophobicContact CG1-CG1 4.46Å; V350-I354 VanDerWaalsContact O-CG1 3.25Å; V350-I354 WeakPolarHBondContact O-CG1 3.4Å; V350-I354 PolarHBondContact O-N 3.32Å; E351-I354 PolarHBondContact O-N 3.47Å; I354-K358 WeakPolarHBondContact O-CB 3.27Å; I354-K358 PolarHBondContact O-N 3.43Å; I354-R413 HydrophobicContact CG2-CG 4.32Å; I354-A416 HydrophobicContact CD1-CB 4.28Å; I354-A416 HydrophobicContact CG1-CB 3.65Å; I354-L420 HydrophobicContact CD1-CB 4.17Å; I354-L420 HydrophobicContact CD1-CD2 3.88Å
355	G	97	Very high	97.4	Very high	40 Å²	40	68.6 Å²	68.6	41%	0.412	35%	0.348	S	S	.	.	H	α-helix	trans	-60.7	-47.9	174.7	0	0	0	0	0	112.8	E351 N352 L353 K358 K359	E351-G355 PolarHBondContact O-N 3.38Å; N352-G355 PolarHBondContact O-N 3.47Å; L353-G355 VanDerWaalsContact C-N 3.3Å; L353-G355 PolarHBondContact O-N 3.41Å; G355-K358 PolarHBondContact O-N 3.25Å; G355-K359 PolarHBondContact O-N 3Å
356	A	97.5	Very high	97.3	Very high	50 Å²	50	69.3 Å²	69.3	41%	0.413	35%	0.351	S	S	.	.	H	α-helix	trans	-63.3	-42.1	177.9	0	0	0	0	0	112.5	N352 L353 K359 T360	N352-A356 WeakPolarHBondContact O-CB 3.13Å; N352-A356 PolarHBondContact O-N 3.25Å; L353-A356 PolarHBondContact O-N 2.9Å; A356-K359 PolarHBondContact O-N 3.25Å; A356-T360 VanDerWaalsContact O-CB 3.29Å; A356-T360 WeakPolarHBondContact O-CB 3.19Å; A356-T360 PolarHBondContact O-N 2.89Å; A356-T360 PolarHBondContact O-OG1 3.41Å
357	L	97.6	Very high	97.3	Very high	19 Å²	19	66.7 Å²	66.7	10%	0.099	34%	0.343	C	S	.	.	H	α-helix	trans	-63.9	-41.6	175.2	-74.4	170	0	0	0	111.5	L353 T361 L409 N412 R413 A416	L353-L357 HydrophobicContact CD1-CD1 4.11Å; L353-L357 HydrophobicContact CD1-CG 4.08Å; L353-L357 HydrophobicContact CG-CD1 3.92Å; L353-L357 HydrophobicContact CG-CG 4.35Å; L353-L357 WeakPolarHBondContact O-CB 3.35Å; L353-L357 VanDerWaalsContact O-CG 3.24Å; L353-L357 WeakPolarHBondContact O-CG 3.4Å; L353-L357 PolarHBondContact O-N 3.47Å; L357-T361 WeakPolarHBondContact O-CB 3.41Å; L357-T361 PolarHBondContact O-N 3.45Å; L357-T361 PolarHBondContact O-OG1 2.96Å; L357-L409 HydrophobicContact CD2-CD2 3.84Å; L357-N412 HydrophobicContact CD1-CB 4.22Å; L357-N412 HydrophobicContact CD2-CB 4.17Å; L357-R413 HydrophobicContact CB-CB 4.2Å; L357-R413 HydrophobicContact CB-CG 4.39Å; L357-R413 HydrophobicContact CD1-CB 4.23Å; L357-A416 HydrophobicContact CD1-CB 4.35Å
358	K	97.3	Very high	97.3	Very high	115 Å²	115	67.2 Å²	67.2	50%	0.5	35%	0.346	S	S	.	.	H	α-helix	trans	-61.6	-53.1	175	179.4	179.3	177.3	-176	0	110.9	I354 G355 T360 T361 D362	I354-K358 WeakPolarHBondContact O-CB 3.27Å; I354-K358 PolarHBondContact O-N 3.43Å; G355-K358 PolarHBondContact O-N 3.25Å; K358-T360 VanDerWaalsContact C-N 3.34Å; K358-T360 PolarHBondContact O-N 3.36Å; K358-T361 WeakPolarHBondContact O-CB 3.32Å; K358-T361 PolarHBondContact O-N 3.06Å; K358-T361 VanDerWaalsContact O-N 3.14Å; K358-D362 VanDerWaalsContact O-CG 3.31Å; K358-D362 PolarHBondContact O-N 3.4Å
359	K	97.3	Very high	97.3	Very high	140 Å²	140	66.3 Å²	66.3	61%	0.609	35%	0.345	S	S	*	.	H	α-helix	trans	-56.5	-48.1	178.5	-177.8	-179.7	176.7	-177.4	0	111.6	G355 A356 T361 D362 D363	G355-K359 PolarHBondContact O-N 3Å; A356-K359 PolarHBondContact O-N 3.25Å; K359-T361 VanDerWaalsContact C-N 3.3Å; K359-T361 PolarHBondContact O-N 2.98Å; K359-D362 PolarHBondContact O-N 3.22Å; K359-D362 VanDerWaalsContact O-N 3.13Å; K359-D363 WeakPolarHBondContact O-CB 3.46Å; K359-D363 PolarHBondContact O-N 3.04Å
360	T	97.4	Very high	97.2	Very high	53 Å²	53	65.1 Å²	65.1	33%	0.325	34%	0.343	S	S	.	.	H	α-helix	trans	-63.8	-36.1	179.6	-58.1	0	0	0	0	111.8	A356 K358 K364 L409	A356-T360 VanDerWaalsContact O-CB 3.29Å; A356-T360 WeakPolarHBondContact O-CB 3.19Å; A356-T360 PolarHBondContact O-N 2.89Å; A356-T360 PolarHBondContact O-OG1 3.41Å; K358-T360 VanDerWaalsContact C-N 3.34Å; K358-T360 PolarHBondContact O-N 3.36Å; T360-K364 VanDerWaalsContact O-CG 3.27Å; T360-K364 WeakPolarHBondContact O-CG 3.39Å; T360-K364 PolarHBondContact O-N 3Å; T360-L409 HydrophobicContact CG2-CD1 3.81Å; T360-L409 HydrophobicContact CG2-CD2 4.24Å
361	T	96.7	Very high	97.2	Very high	4 Å²	4	64.4 Å²	64.4	3%	0.025	34%	0.339	C	S	.	.	H	α-helix	trans	-62.8	-46.8	173.3	-56.9	0	0	0	0	110.7	L357 K358 K359 K364 I406 L409 K410	L357-T361 WeakPolarHBondContact O-CB 3.41Å; L357-T361 PolarHBondContact O-N 3.45Å; L357-T361 PolarHBondContact O-OG1 2.96Å; K358-T361 WeakPolarHBondContact O-CB 3.32Å; K358-T361 PolarHBondContact O-N 3.06Å; K358-T361 VanDerWaalsContact O-N 3.14Å; K359-T361 VanDerWaalsContact C-N 3.3Å; K359-T361 PolarHBondContact O-N 2.98Å; T361-K364 PolarHBondContact O-N 3.47Å; T361-I406 HydrophobicContact CG2-CG2 4.22Å; T361-L409 WeakPolarHBondContact OG1-CB 3.28Å; T361-K410 HydrophobicContact CG2-CG 4.22Å
362	D	96.1	Very high	97.2	Very high	84 Å²	84	63.1 Å²	63.1	45%	0.449	33%	0.333	S	S	.	.	H	α-helix	trans	-65.4	-40.8	-179	-64.9	-21.1	0	0	0	111.3	K358 K359 K364 I365	K358-D362 VanDerWaalsContact O-CG 3.31Å; K358-D362 PolarHBondContact O-N 3.4Å; K359-D362 PolarHBondContact O-N 3.22Å; K359-D362 VanDerWaalsContact O-N 3.13Å; D362-K364 PolarHBondContact O-N 3.15Å; D362-I365 VanDerWaalsContact O-CB 3.29Å; D362-I365 WeakPolarHBondContact O-CB 3.32Å; D362-I365 PolarHBondContact O-N 3.3Å
363	D	96.7	Very high	97.2	Very high	86 Å²	86	63.7 Å²	63.7	46%	0.46	34%	0.339	S	S	.	.	H	α-helix	trans	-60.7	-29	176.2	-69.3	-20	0	0	0	112.4	K359 P367	K359-D363 WeakPolarHBondContact O-CB 3.46Å; K359-D363 PolarHBondContact O-N 3.04Å; D363-P367 WeakPolarHBondContact O-CD 3.48Å
364	K	97.3	Very high	97.2	Very high	68 Å²	68	66.4 Å²	66.4	30%	0.296	34%	0.343	S	S	.	.	H	α-helix	trans	-81.2	-12.7	177.3	-63.4	-67.7	171	-70.1	0	113.5	T360 T361 D362 L368 L402 I406 L409	T360-K364 VanDerWaalsContact O-CG 3.27Å; T360-K364 WeakPolarHBondContact O-CG 3.39Å; T360-K364 PolarHBondContact O-N 3Å; T361-K364 PolarHBondContact O-N 3.47Å; D362-K364 PolarHBondContact O-N 3.15Å; K364-L368 WeakPolarHBondContact O-CB 3.48Å; K364-L368 PolarHBondContact O-N 3.11Å; K364-L402 HydrophobicContact CD-CD2 4.04Å; K364-I406 HydrophobicContact CB-CD1 4.08Å; K364-I406 HydrophobicContact CB-CG1 3.81Å; K364-L409 HydrophobicContact CG-CD1 4.46Å
365	I	96.5	Very high	97.1	Very high	57 Å²	57	66.6 Å²	66.6	29%	0.292	34%	0.344	S	S	.	.	H	α-helix	trans	-67	-38.3	176.4	-60.2	-61	0	0	0	111.4	D362 L368 K369 I406	D362-I365 VanDerWaalsContact O-CB 3.29Å; D362-I365 WeakPolarHBondContact O-CB 3.32Å; D362-I365 PolarHBondContact O-N 3.3Å; I365-L368 PolarHBondContact O-N 2.64Å; I365-K369 HydrophobicContact CG2-CD 4.25Å; I365-K369 HydrophobicContact CG2-CG 4.41Å; I365-K369 WeakPolarHBondContact O-CG 3.3Å; I365-K369 PolarHBondContact O-N 3.36Å; I365-I406 HydrophobicContact CD1-CD1 4.05Å
366	Q	96.3	Very high	97	Very high	116 Å²	116	70.8 Å²	70.8	54%	0.542	35%	0.351	S	S	.	.	H	α-helix	trans	-68.1	-50.1	-178.6	-63.2	-63.7	-12.5	0	0	112.6	L368 K369 V370	Q366-L368 VanDerWaalsContact C-N 3.26Å; Q366-L368 PolarHBondContact O-N 3.38Å; Q366-K369 WeakPolarHBondContact O-CB 3.31Å; Q366-K369 PolarHBondContact O-N 3.01Å; Q366-K369 VanDerWaalsContact O-N 3.16Å; Q366-V370 WeakPolarHBondContact O-CG2 3.42Å; Q366-V370 PolarHBondContact O-N 2.96Å
367	P	97.5	Very high	96.9	Very high	50 Å²	50	72.6 Å²	72.6	33%	0.325	35%	0.351	S	S	.	.	H	α-helix	trans	-54.1	-41.8	170.5	-27.1	35.1	0	0	0	112.7	D363 K369 V370 A371 L402	D363-P367 WeakPolarHBondContact O-CD 3.48Å; P367-K369 PolarHBondContact O-N 2.89Å; P367-V370 PolarHBondContact O-N 2.91Å; P367-A371 WeakPolarHBondContact O-CB 3.44Å; P367-A371 PolarHBondContact O-N 3.37Å; P367-L402 HydrophobicContact CB-CD1 3.9Å; P367-L402 HydrophobicContact CB-CD2 4.3Å
368	L	97.4	Very high	96.8	Very high	19 Å²	19	73.4 Å²	73.4	10%	0.099	35%	0.353	C	S	.	.	H	α-helix	trans	-62.7	-42.8	178.5	179.6	63.8	0	0	0	111.9	K364 I365 Q366 V370 A371 Q372 V399 L402 R403 I406	K364-L368 WeakPolarHBondContact O-CB 3.48Å; K364-L368 PolarHBondContact O-N 3.11Å; I365-L368 PolarHBondContact O-N 2.64Å; Q366-L368 VanDerWaalsContact C-N 3.26Å; Q366-L368 PolarHBondContact O-N 3.38Å; L368-V370 VanDerWaalsContact C-N 3.33Å; L368-V370 PolarHBondContact O-N 2.88Å; L368-A371 PolarHBondContact O-N 3.14Å; L368-Q372 HydrophobicContact CD1-CG 4.04Å; L368-Q372 HydrophobicContact CG-CG 4.35Å; L368-Q372 VanDerWaalsContact O-CB 3.3Å; L368-Q372 WeakPolarHBondContact O-CB 3.4Å; L368-Q372 VanDerWaalsContact O-CG 3.28Å; L368-Q372 WeakPolarHBondContact O-CG 3.48Å; L368-Q372 PolarHBondContact O-N 3.43Å; L368-V399 HydrophobicContact CD1-CG1 4.14Å; L368-L402 HydrophobicContact CB-CB 4.37Å; L368-L402 HydrophobicContact CB-CD1 4.21Å; L368-L402 HydrophobicContact CD1-CB 3.98Å; L368-R403 HydrophobicContact CD1-CG 4.08Å; L368-R403 HydrophobicContact CD2-CG 4.35Å; L368-I406 HydrophobicContact CB-CD1 4.34Å; L368-I406 HydrophobicContact CD2-CD1 3.68Å
369	K	97.4	Very high	96.6	Very high	108 Å²	108	71.5 Å²	71.5	47%	0.47	35%	0.351	S	S	.	.	H	α-helix	trans	-61	-42	175.5	-77.8	177.8	176.5	-179.3	0	111.7	I365 Q366 P367 T373	I365-K369 HydrophobicContact CG2-CD 4.25Å; I365-K369 HydrophobicContact CG2-CG 4.41Å; I365-K369 WeakPolarHBondContact O-CG 3.3Å; I365-K369 PolarHBondContact O-N 3.36Å; Q366-K369 WeakPolarHBondContact O-CB 3.31Å; Q366-K369 PolarHBondContact O-N 3.01Å; Q366-K369 VanDerWaalsContact O-N 3.16Å; P367-K369 PolarHBondContact O-N 2.89Å; K369-T373 VanDerWaalsContact O-CB 3.27Å; K369-T373 WeakPolarHBondContact O-CB 3.2Å; K369-T373 PolarHBondContact O-N 2.79Å; K369-T373 PolarHBondContact O-OG1 3.42Å
370	V	97.8	Very high	96.4	Very high	63 Å²	63	72.6 Å²	72.6	38%	0.382	35%	0.351	S	S	.	.	H	α-helix	trans	-62.8	-51.9	177.5	172.6	0	0	0	0	110.3	Q366 P367 L368 Q372 T373 R374	Q366-V370 WeakPolarHBondContact O-CG2 3.42Å; Q366-V370 PolarHBondContact O-N 2.96Å; P367-V370 PolarHBondContact O-N 2.91Å; L368-V370 VanDerWaalsContact C-N 3.33Å; L368-V370 PolarHBondContact O-N 2.88Å; V370-Q372 PolarHBondContact O-N 2.86Å; V370-T373 PolarHBondContact O-N 3.18Å; V370-R374 HydrophobicContact CG1-CG 4.44Å; V370-R374 VanDerWaalsContact CG1-CZ 3.43Å; V370-R374 WeakPolarHBondContact O-CB 3.41Å; V370-R374 VanDerWaalsContact O-CG 3.3Å; V370-R374 WeakPolarHBondContact O-CG 3.39Å; V370-R374 PolarHBondContact O-N 2.98Å
371	A	96.8	Very high	96.2	Very high	0 Å²	0	75 Å²	75	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-60.2	-44.5	180	0	0	0	0	0	111.7	P367 L368 L375 E398 V399 L402	P367-A371 WeakPolarHBondContact O-CB 3.44Å; P367-A371 PolarHBondContact O-N 3.37Å; L368-A371 PolarHBondContact O-N 3.14Å; A371-L375 VanDerWaalsContact O-CB 3.28Å; A371-L375 WeakPolarHBondContact O-CB 3.49Å; A371-L375 PolarHBondContact O-N 3.46Å; A371-E398 HydrophobicContact CB-CG 3.93Å; A371-V399 HydrophobicContact CB-CG2 3.62Å; A371-L402 HydrophobicContact CB-CD1 4.49Å
372	Q	97.5	Very high	96	Very high	66 Å²	66	80.6 Å²	80.6	31%	0.308	38%	0.383	S	S	.	.	H	α-helix	trans	-66.1	-42.1	177.2	-75.6	-179.8	-8.1	0	0	113.2	L368 V370 L375 K376 V399	L368-Q372 HydrophobicContact CD1-CG 4.04Å; L368-Q372 HydrophobicContact CG-CG 4.35Å; L368-Q372 VanDerWaalsContact O-CB 3.3Å; L368-Q372 WeakPolarHBondContact O-CB 3.4Å; L368-Q372 VanDerWaalsContact O-CG 3.28Å; L368-Q372 WeakPolarHBondContact O-CG 3.48Å; L368-Q372 PolarHBondContact O-N 3.43Å; V370-Q372 PolarHBondContact O-N 2.86Å; Q372-L375 PolarHBondContact O-N 3.27Å; Q372-K376 WeakPolarHBondContact O-CB 3.49Å; Q372-K376 PolarHBondContact O-N 3.41Å; Q372-V399 HydrophobicContact CG-CG1 4.06Å; Q372-V399 HydrophobicContact CG-CG2 3.93Å
373	T	97.5	Very high	95.8	Very high	85 Å²	85	83.6 Å²	83.6	52%	0.521	40%	0.399	S	S	.	.	H	α-helix	trans	-64.3	-47.8	177.7	-56.9	0	0	0	0	110.3	K369 V370 L375 K376 E377	K369-T373 VanDerWaalsContact O-CB 3.27Å; K369-T373 WeakPolarHBondContact O-CB 3.2Å; K369-T373 PolarHBondContact O-N 2.79Å; K369-T373 PolarHBondContact O-OG1 3.42Å; V370-T373 PolarHBondContact O-N 3.18Å; T373-L375 VanDerWaalsContact C-N 3.3Å; T373-L375 PolarHBondContact O-N 2.93Å; T373-K376 PolarHBondContact O-N 3.07Å; T373-E377 HydrophobicContact CG2-CG 4.44Å; T373-E377 WeakPolarHBondContact O-CG 3.47Å; T373-E377 PolarHBondContact O-N 2.99Å
374	R	97.8	Very high	95.5	Very high	144 Å²	144	85.5 Å²	85.5	54%	0.543	41%	0.413	S	S	.	.	H	α-helix	trans	-56.4	-45.4	175	-74.9	173.7	175.9	168.3	-1.7	111.4	V370 R378 L395	V370-R374 HydrophobicContact CG1-CG 4.44Å; V370-R374 VanDerWaalsContact CG1-CZ 3.43Å; V370-R374 WeakPolarHBondContact O-CB 3.41Å; V370-R374 VanDerWaalsContact O-CG 3.3Å; V370-R374 WeakPolarHBondContact O-CG 3.39Å; V370-R374 PolarHBondContact O-N 2.98Å; R374-R378 WeakPolarHBondContact O-CG 3.28Å; R374-R378 PolarHBondContact O-N 3.43Å; R374-R378 VanDerWaalsContact O-N 3.13Å; R374-L395 HydrophobicContact CB-CD1 3.95Å; R374-L395 HydrophobicContact CB-CD2 3.77Å
375	L	95.2	Very high	95.2	Very high	31 Å²	31	88.4 Å²	88.4	16%	0.162	43%	0.428	C	S	.	.	H	α-helix	trans	-63.4	-44.9	177.7	-173.2	62.6	0	0	0	111.6	A371 Q372 T373 R378 T379 M392 L395 Q396 V399	A371-L375 VanDerWaalsContact O-CB 3.28Å; A371-L375 WeakPolarHBondContact O-CB 3.49Å; A371-L375 PolarHBondContact O-N 3.46Å; Q372-L375 PolarHBondContact O-N 3.27Å; T373-L375 VanDerWaalsContact C-N 3.3Å; T373-L375 PolarHBondContact O-N 2.93Å; L375-R378 PolarHBondContact O-N 2.96Å; L375-T379 WeakPolarHBondContact O-CG2 3.42Å; L375-T379 PolarHBondContact O-N 3.5Å; L375-M392 HydrophobicContact CD1-CE 3.7Å; L375-M392 HydrophobicContact CD1-SD 3.5Å; L375-M392 WeakPolarHBondContact CD1-SD 3.41Å; L375-L395 HydrophobicContact CB-CB 4.44Å; L375-L395 HydrophobicContact CD1-CB 4.11Å; L375-Q396 HydrophobicContact CD1-CG 3.85Å; L375-Q396 HydrophobicContact CD2-CG 4.13Å; L375-V399 HydrophobicContact CD2-CG2 4.3Å
376	K	95.9	Very high	94.9	Very high	128 Å²	128	89.2 Å²	89.2	56%	0.557	44%	0.439	S	S	*	.	H	α-helix	trans	-62.4	-45.9	178.7	-179.6	60.9	176.4	177.7	0	112.4	Q372 T373 R378 T379	Q372-K376 WeakPolarHBondContact O-CB 3.49Å; Q372-K376 PolarHBondContact O-N 3.41Å; T373-K376 PolarHBondContact O-N 3.07Å; K376-R378 VanDerWaalsContact C-N 3.3Å; K376-R378 PolarHBondContact O-N 3.15Å; K376-T379 PolarHBondContact O-N 3.37Å; K376-T379 VanDerWaalsContact O-N 3.13Å; K376-T379 PolarHBondContact O-OG1 3.03Å
377	E	96	Very high	94.5	Very high	88 Å²	88	87.1 Å²	87.1	41%	0.411	44%	0.436	S	S	.	.	H	α-helix	trans	-63.2	-39.2	178.3	-70.2	-54.6	136.3	0	0	111.4	T373 T379 R380	T373-E377 HydrophobicContact CG2-CG 4.44Å; T373-E377 WeakPolarHBondContact O-CG 3.47Å; T373-E377 PolarHBondContact O-N 2.99Å; E377-T379 PolarHBondContact O-N 3.02Å; E377-R380 WeakPolarHBondContact O-CB 3.21Å; E377-R380 PolarHBondContact O-N 3.22Å; E377-R380 IonicContact OE1-CZ 3.33Å; E377-R380 IonicContact OE1-NE 3.98Å; E377-R380 IonicContact OE1-NH1 2.91Å; E377-R380 PolarHBondContact OE1-NH1 3.36Å; E377-R380 IonicContact OE1-NH2 3.76Å; E377-R380 WeakPolarHBondContact OE2-CD 3.38Å; E377-R380 IonicContact OE2-CZ 3.47Å; E377-R380 IonicContact OE2-NE 3.74Å; E377-R380 IonicContact OE2-NH1 2.7Å; E377-R380 PolarHBondContact OE2-NH1 2.91Å
378	R	94.8	Very high	94.2	Very high	37 Å²	37	91.1 Å²	91.1	14%	0.14	45%	0.446	C	S	.	.	H	α-helix	trans	-61.8	-29.8	174.4	-73.6	-178.4	64.4	86	14.8	113.6	R374 L375 K376 R380 R381 D389 L395	R374-R378 WeakPolarHBondContact O-CG 3.28Å; R374-R378 PolarHBondContact O-N 3.43Å; R374-R378 VanDerWaalsContact O-N 3.13Å; L375-R378 PolarHBondContact O-N 2.96Å; K376-R378 VanDerWaalsContact C-N 3.3Å; K376-R378 PolarHBondContact O-N 3.15Å; R378-R380 PolarHBondContact O-N 3.49Å; R378-R381 VanDerWaalsContact NH2-NH1 3.19Å; R378-R381 WeakPolarHBondContact O-CG 3.37Å; R378-R381 PolarHBondContact O-N 3.42Å; R378-D389 IonicContact CZ-OD1 3.47Å; R378-D389 IonicContact CZ-OD2 3.58Å; R378-D389 IonicContact NH1-OD1 3.98Å; R378-D389 IonicContact NH1-OD2 3.61Å; R378-D389 IonicContact NH2-OD1 2.75Å; R378-D389 PolarHBondContact NH2-OD1 3.02Å; R378-D389 IonicContact NH2-OD2 2.73Å; R378-D389 PolarHBondContact NH2-OD2 3Å; R378-L395 VanDerWaalsContact CD-CD1 3.49Å
379	T	93	Very high	94	Very high	74 Å²	74	92.1 Å²	92.1	45%	0.454	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-8.6	175.6	66.3	0	0	0	0	114.4	L375 K376 E377 R381	L375-T379 WeakPolarHBondContact O-CG2 3.42Å; L375-T379 PolarHBondContact O-N 3.5Å; K376-T379 PolarHBondContact O-N 3.37Å; K376-T379 VanDerWaalsContact O-N 3.13Å; K376-T379 PolarHBondContact O-OG1 3.03Å; E377-T379 PolarHBondContact O-N 3.02Å; T379-R381 VanDerWaalsContact C-N 3.34Å
380	R	94	Very high	93.9	Very high	164 Å²	164	92.9 Å²	92.9	62%	0.619	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-7.3	176.5	-63.1	179.8	168.2	166.9	-4.5	113.8	E377 R378	E377-R380 WeakPolarHBondContact O-CB 3.21Å; E377-R380 PolarHBondContact O-N 3.22Å; E377-R380 IonicContact OE1-CZ 3.33Å; E377-R380 IonicContact OE1-NE 3.98Å; E377-R380 IonicContact OE1-NH1 2.91Å; E377-R380 PolarHBondContact OE1-NH1 3.36Å; E377-R380 IonicContact OE1-NH2 3.76Å; E377-R380 WeakPolarHBondContact OE2-CD 3.38Å; E377-R380 IonicContact OE2-CZ 3.47Å; E377-R380 IonicContact OE2-NE 3.74Å; E377-R380 IonicContact OE2-NH1 2.7Å; E377-R380 PolarHBondContact OE2-NH1 2.91Å; R378-R380 PolarHBondContact O-N 3.49Å
381	R	93.2	Very high	93.8	Very high	104 Å²	104	93 Å²	93	39%	0.392	46%	0.459	S	S	.	.			trans	-64.5	138.1	177.1	-65.2	178.7	179.8	-167.2	-5.7	109.8	R378 T379 E385 S386 D389	R378-R381 VanDerWaalsContact NH2-NH1 3.19Å; R378-R381 WeakPolarHBondContact O-CG 3.37Å; R378-R381 PolarHBondContact O-N 3.42Å; T379-R381 VanDerWaalsContact C-N 3.34Å; R381-E385 HydrophobicContact CB-CB 4.44Å; R381-E385 VanDerWaalsContact CD-O 3.26Å; R381-E385 WeakPolarHBondContact CD-O 3.48Å; R381-S386 WeakPolarHBondContact O-CB 3.42Å; R381-D389 IonicContact NH1-OD2 3.93Å
382	I	92.3	Very high	93.7	Very high	121 Å²	121	94.4 Å²	94.4	62%	0.621	47%	0.466	S	S	*	.			trans	-105.8	156.7	-174	59.7	171.8	0	0	0	111.5	V384 E385	I382-V384 PolarHBondContact O-N 3.43Å; I382-E385 WeakPolarHBondContact O-CB 3.48Å; I382-E385 PolarHBondContact O-N 3.2Å
383	N	91.9	Very high	93.6	Very high	147 Å²	147	95.4 Å²	95.4	79%	0.786	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	51.3	-134.2	175	-55.1	-31	0	0	0	112.6	E385 S386	N383-E385 VanDerWaalsContact C-N 3.25Å; N383-E385 PolarHBondContact O-N 3.41Å; N383-S386 WeakPolarHBondContact O-CB 3.48Å; N383-S386 PolarHBondContact O-N 2.97Å
384	V	90.1	Very high	93.5	Very high	125 Å²	125	94.9 Å²	94.9	76%	0.758	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-66.5	-23.6	-177.5	75.3	0	0	0	0	113.5	I382 S386	I382-V384 PolarHBondContact O-N 3.43Å; V384-S386 PolarHBondContact O-N 2.96Å
385	E	90.9	Very high	93.5	Very high	130 Å²	130	88.9 Å²	88.9	61%	0.607	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-70.7	-14.1	178.1	-60.8	-58.8	143.5	0	0	112.5	R381 I382 N383 C387	R381-E385 HydrophobicContact CB-CB 4.44Å; R381-E385 VanDerWaalsContact CD-O 3.26Å; R381-E385 WeakPolarHBondContact CD-O 3.48Å; I382-E385 WeakPolarHBondContact O-CB 3.48Å; I382-E385 PolarHBondContact O-N 3.2Å; N383-E385 VanDerWaalsContact C-N 3.25Å; N383-E385 PolarHBondContact O-N 3.41Å; E385-C387 PolarHBondContact O-N 3.4Å
386	S	89	Confident	93.6	Very high	74 Å²	74	90.3 Å²	90.3	52%	0.517	45%	0.45	S	S	.	.			trans	-75.4	62.7	169.7	-162.4	0	0	0	0	111.1	R381 N383 V384	R381-S386 WeakPolarHBondContact O-CB 3.42Å; N383-S386 WeakPolarHBondContact O-CB 3.48Å; N383-S386 PolarHBondContact O-N 2.97Å; V384-S386 PolarHBondContact O-N 2.96Å
387	C	88.9	Confident	93.6	Very high	72 Å²	72	87.4 Å²	87.4	49%	0.486	44%	0.443	S	S	.	.			trans	-89.4	134.3	-174.8	-171.5	0	0	0	0	112.2	E385 D389	E385-C387 PolarHBondContact O-N 3.4Å; C387-D389 PolarHBondContact O-N 3.47Å
388	Y	90.4	Very high	93.7	Very high	133 Å²	133	86 Å²	86	52%	0.522	44%	0.436	S	S	.	.			trans	-82.1	63	170.4	-166.7	-113.1	0	0	0	111.7	M392 K393 Q396	Y388-M392 HydrophobicContact CD2-CB 4.29Å; Y388-M392 HydrophobicContact CD2-CG 3.58Å; Y388-M392 HydrophobicContact CE2-CG 3.83Å; Y388-K393 HydrophobicContact CD1-CG 4.3Å; Y388-K393 HydrophobicContact CE1-CD 4.12Å; Y388-K393 HydrophobicContact CE1-CG 3.64Å; Y388-K393 HydrophobicContact CE2-CG 4.29Å; Y388-Q396 PolarHBondContact OH-OE1 2.89Å
389	D	94	Very high	93.8	Very high	41 Å²	41	84.5 Å²	84.5	22%	0.219	43%	0.432	C	S	.	.			trans	-81	179.8	-176.9	64	15	0	0	0	113.5	R378 R381 C387 P391 M392 K393	R378-D389 IonicContact CZ-OD1 3.47Å; R378-D389 IonicContact CZ-OD2 3.58Å; R378-D389 IonicContact NH1-OD1 3.98Å; R378-D389 IonicContact NH1-OD2 3.61Å; R378-D389 IonicContact NH2-OD1 2.75Å; R378-D389 PolarHBondContact NH2-OD1 3.02Å; R378-D389 IonicContact NH2-OD2 2.73Å; R378-D389 PolarHBondContact NH2-OD2 3Å; R381-D389 IonicContact NH1-OD2 3.93Å; C387-D389 PolarHBondContact O-N 3.47Å; D389-P391 WeakPolarHBondContact OD1-CD 3.34Å; D389-M392 WeakPolarHBondContact O-CB 3.37Å; D389-M392 PolarHBondContact O-N 3.34Å; D389-M392 VanDerWaalsContact OD1-CB 3.28Å; D389-M392 WeakPolarHBondContact OD1-CB 3.45Å; D389-M392 PolarHBondContact OD1-N 3.43Å; D389-K393 PolarHBondContact O-N 2.92Å; D389-K393 VanDerWaalsContact O-N 3.12Å
390	Q	95	Very high	94	Very high	124 Å²	124	86.5 Å²	86.5	58%	0.579	44%	0.439	S	S	*	.	H	α-helix	trans	-61.4	-45.2	179.2	-171.5	63.6	26.6	0	0	113.2	M392 K393 T394	Q390-M392 VanDerWaalsContact C-N 3.3Å; Q390-M392 PolarHBondContact O-N 3.18Å; Q390-K393 PolarHBondContact O-N 2.86Å; Q390-T394 PolarHBondContact O-N 3.31Å; Q390-T394 PolarHBondContact O-OG1 3.22Å; Q390-T394 VanDerWaalsContact O-OG1 3.1Å
391	P	94.8	Very high	94.1	Very high	66 Å²	66	84.4 Å²	84.4	43%	0.429	44%	0.436	S	S	.	.	H	α-helix	trans	-55.1	-40.3	171.6	-28.7	35	0	0	0	114.4	D389 T394 L395	D389-P391 WeakPolarHBondContact OD1-CD 3.34Å; P391-T394 PolarHBondContact O-N 2.82Å; P391-L395 WeakPolarHBondContact O-CB 3.35Å; P391-L395 WeakPolarHBondContact O-CG 3.49Å; P391-L395 PolarHBondContact O-N 3.38Å
392	M	95.1	Very high	94.3	Very high	29 Å²	29	80.5 Å²	80.5	14%	0.143	42%	0.423	C	S	.	.	H	α-helix	trans	-60.9	-46.9	176	-174.2	65.9	178.9	0	0	111.2	L375 Y388 D389 Q390 Q396	L375-M392 HydrophobicContact CD1-CE 3.7Å; L375-M392 HydrophobicContact CD1-SD 3.5Å; L375-M392 WeakPolarHBondContact CD1-SD 3.41Å; Y388-M392 HydrophobicContact CD2-CB 4.29Å; Y388-M392 HydrophobicContact CD2-CG 3.58Å; Y388-M392 HydrophobicContact CE2-CG 3.83Å; D389-M392 WeakPolarHBondContact O-CB 3.37Å; D389-M392 PolarHBondContact O-N 3.34Å; D389-M392 VanDerWaalsContact OD1-CB 3.28Å; D389-M392 WeakPolarHBondContact OD1-CB 3.45Å; D389-M392 PolarHBondContact OD1-N 3.43Å; Q390-M392 VanDerWaalsContact C-N 3.3Å; Q390-M392 PolarHBondContact O-N 3.18Å; M392-Q396 WeakPolarHBondContact O-CG 3.41Å; M392-Q396 PolarHBondContact O-N 2.96Å
393	K	95.9	Very high	94.6	Very high	87 Å²	87	81.2 Å²	81.2	38%	0.378	42%	0.418	S	S	.	.	H	α-helix	trans	-60.5	-50	175.9	-67.9	173.7	-175.3	177.7	0	111.8	Y388 D389 Q390 L395 Q396 T397	Y388-K393 HydrophobicContact CD1-CG 4.3Å; Y388-K393 HydrophobicContact CE1-CD 4.12Å; Y388-K393 HydrophobicContact CE1-CG 3.64Å; Y388-K393 HydrophobicContact CE2-CG 4.29Å; D389-K393 PolarHBondContact O-N 2.92Å; D389-K393 VanDerWaalsContact O-N 3.12Å; Q390-K393 PolarHBondContact O-N 2.86Å; K393-L395 PolarHBondContact O-N 2.88Å; K393-Q396 PolarHBondContact O-N 3.47Å; K393-T397 PolarHBondContact O-N 3.48Å; K393-T397 PolarHBondContact O-OG1 3.48Å; K393-T397 VanDerWaalsContact O-OG1 3.12Å
394	T	96.3	Very high	94.8	Very high	74 Å²	74	80.7 Å²	80.7	45%	0.454	41%	0.408	S	S	.	.	H	α-helix	trans	-60.9	-42.5	-178.9	-56.9	0	0	0	0	111.9	Q390 P391 T397 E398	Q390-T394 PolarHBondContact O-N 3.31Å; Q390-T394 PolarHBondContact O-OG1 3.22Å; Q390-T394 VanDerWaalsContact O-OG1 3.1Å; P391-T394 PolarHBondContact O-N 2.82Å; T394-T397 PolarHBondContact O-N 3.09Å; T394-E398 WeakPolarHBondContact O-CB 3.4Å; T394-E398 PolarHBondContact O-N 3.19Å
395	L	96.7	Very high	95.1	Very high	17 Å²	17	77.1 Å²	77.1	9%	0.089	39%	0.387	C	S	.	.	H	α-helix	trans	-65.4	-39.3	176.4	-74.7	168.5	0	0	0	112.4	R374 L375 R378 P391 K393 V399	R374-L395 HydrophobicContact CB-CD1 3.95Å; R374-L395 HydrophobicContact CB-CD2 3.77Å; L375-L395 HydrophobicContact CB-CB 4.44Å; L375-L395 HydrophobicContact CD1-CB 4.11Å; R378-L395 VanDerWaalsContact CD-CD1 3.49Å; P391-L395 WeakPolarHBondContact O-CB 3.35Å; P391-L395 WeakPolarHBondContact O-CG 3.49Å; P391-L395 PolarHBondContact O-N 3.38Å; K393-L395 PolarHBondContact O-N 2.88Å; L395-V399 VanDerWaalsContact O-CG2 3.28Å; L395-V399 WeakPolarHBondContact O-CG2 3.44Å; L395-V399 PolarHBondContact O-N 3.44Å
396	Q	96.9	Very high	95.4	Very high	61 Å²	61	71.4 Å²	71.4	29%	0.285	36%	0.36	S	S	.	.	H	α-helix	trans	-62.1	-46.5	173.9	-75.4	-178.6	-23.4	0	0	111.3	L375 Y388 M392 K393 V399 L400	L375-Q396 HydrophobicContact CD1-CG 3.85Å; L375-Q396 HydrophobicContact CD2-CG 4.13Å; Y388-Q396 PolarHBondContact OH-OE1 2.89Å; M392-Q396 WeakPolarHBondContact O-CG 3.41Å; M392-Q396 PolarHBondContact O-N 2.96Å; K393-Q396 PolarHBondContact O-N 3.47Å; Q396-V399 PolarHBondContact O-N 3.19Å; Q396-L400 WeakPolarHBondContact O-CG 3.25Å; Q396-L400 PolarHBondContact O-N 3.09Å
397	T	96.4	Very high	95.8	Very high	67 Å²	67	71.5 Å²	71.5	41%	0.411	35%	0.353	S	S	.	.	H	α-helix	trans	-60.2	-49.5	176.4	-58.7	0	0	0	0	111.6	K393 T394 V399 L400 E401	K393-T397 PolarHBondContact O-N 3.48Å; K393-T397 PolarHBondContact O-OG1 3.48Å; K393-T397 VanDerWaalsContact O-OG1 3.12Å; T394-T397 PolarHBondContact O-N 3.09Å; T397-V399 VanDerWaalsContact C-N 3.32Å; T397-V399 PolarHBondContact O-N 3.37Å; T397-L400 PolarHBondContact O-N 3.09Å; T397-L400 VanDerWaalsContact O-N 3.09Å; T397-E401 HydrophobicContact CG2-CG 4.21Å; T397-E401 WeakPolarHBondContact CG2-OE1 3.37Å; T397-E401 WeakPolarHBondContact O-CG 3.4Å; T397-E401 PolarHBondContact O-N 3.09Å
398	E	97.6	Very high	96.2	Very high	58 Å²	58	72.4 Å²	72.4	27%	0.271	35%	0.35	S	S	.	.	H	α-helix	trans	-56.1	-45	178	-177.9	-175.9	-171.2	0	0	111.5	A371 T394 L400 E401 L402	A371-E398 HydrophobicContact CB-CG 3.93Å; T394-E398 WeakPolarHBondContact O-CB 3.4Å; T394-E398 PolarHBondContact O-N 3.19Å; E398-L400 PolarHBondContact O-N 2.84Å; E398-E401 PolarHBondContact O-N 3.34Å; E398-L402 HydrophobicContact CG-CD1 3.9Å; E398-L402 HydrophobicContact CG-CG 4.5Å; E398-L402 VanDerWaalsContact O-CB 3.32Å; E398-L402 WeakPolarHBondContact O-CB 3.4Å; E398-L402 VanDerWaalsContact O-CG 3.29Å; E398-L402 WeakPolarHBondContact O-CG 3.49Å; E398-L402 PolarHBondContact O-N 3.19Å
399	V	97.6	Very high	96.5	Very high	7 Å²	7	67.2 Å²	67.2	4%	0.042	33%	0.331	C	S	.	.	H	α-helix	trans	-63	-42.1	176.9	170	0	0	0	0	111.7	L368 A371 Q372 L375 L395 Q396 T397 R403	L368-V399 HydrophobicContact CD1-CG1 4.14Å; A371-V399 HydrophobicContact CB-CG2 3.62Å; Q372-V399 HydrophobicContact CG-CG1 4.06Å; Q372-V399 HydrophobicContact CG-CG2 3.93Å; L375-V399 HydrophobicContact CD2-CG2 4.3Å; L395-V399 VanDerWaalsContact O-CG2 3.28Å; L395-V399 WeakPolarHBondContact O-CG2 3.44Å; L395-V399 PolarHBondContact O-N 3.44Å; Q396-V399 PolarHBondContact O-N 3.19Å; T397-V399 VanDerWaalsContact C-N 3.32Å; T397-V399 PolarHBondContact O-N 3.37Å; V399-R403 WeakPolarHBondContact O-CB 3.48Å; V399-R403 VanDerWaalsContact O-CG 3.26Å; V399-R403 WeakPolarHBondContact O-CG 3.4Å; V399-R403 PolarHBondContact O-N 2.9Å
400	L	96.9	Very high	96.7	Very high	116 Å²	116	68.8 Å²	68.8	61%	0.607	34%	0.336	S	S	*	.	H	α-helix	trans	-66.5	-45.4	178.9	-71.2	172.3	0	0	0	111.7	Q396 T397 E398 R403 K404	Q396-L400 WeakPolarHBondContact O-CG 3.25Å; Q396-L400 PolarHBondContact O-N 3.09Å; T397-L400 PolarHBondContact O-N 3.09Å; T397-L400 VanDerWaalsContact O-N 3.09Å; E398-L400 PolarHBondContact O-N 2.84Å; L400-R403 PolarHBondContact O-N 3Å; L400-K404 WeakPolarHBondContact O-CB 3.41Å; L400-K404 PolarHBondContact O-N 3.37Å
401	E	96.9	Very high	96.8	Very high	120 Å²	120	65.7 Å²	65.7	56%	0.561	32%	0.323	S	S	*	.	H	α-helix	trans	-63.8	-44.9	178.3	-72.7	177.4	171.7	0	0	112.2	T397 E398 K404 T405	T397-E401 HydrophobicContact CG2-CG 4.21Å; T397-E401 WeakPolarHBondContact CG2-OE1 3.37Å; T397-E401 WeakPolarHBondContact O-CG 3.4Å; T397-E401 PolarHBondContact O-N 3.09Å; E398-E401 PolarHBondContact O-N 3.34Å; E401-K404 PolarHBondContact O-N 3.5Å; E401-T405 WeakPolarHBondContact O-CB 3.35Å; E401-T405 PolarHBondContact O-N 3.35Å; E401-T405 PolarHBondContact O-OG1 3.37Å
402	L	97.5	Very high	96.9	Very high	21 Å²	21	66.7 Å²	66.7	11%	0.11	33%	0.325	C	S	.	.	H	α-helix	trans	-64.3	-41	176.6	-74.9	171.8	0	0	0	111.7	K364 P367 L368 A371 E398 T405 I406	K364-L402 HydrophobicContact CD-CD2 4.04Å; P367-L402 HydrophobicContact CB-CD1 3.9Å; P367-L402 HydrophobicContact CB-CD2 4.3Å; L368-L402 HydrophobicContact CB-CB 4.37Å; L368-L402 HydrophobicContact CB-CD1 4.21Å; L368-L402 HydrophobicContact CD1-CB 3.98Å; A371-L402 HydrophobicContact CB-CD1 4.49Å; E398-L402 HydrophobicContact CG-CD1 3.9Å; E398-L402 HydrophobicContact CG-CG 4.5Å; E398-L402 VanDerWaalsContact O-CB 3.32Å; E398-L402 WeakPolarHBondContact O-CB 3.4Å; E398-L402 VanDerWaalsContact O-CG 3.29Å; E398-L402 WeakPolarHBondContact O-CG 3.49Å; E398-L402 PolarHBondContact O-N 3.19Å; L402-T405 PolarHBondContact O-N 3.47Å; L402-I406 WeakPolarHBondContact O-CB 3.43Å; L402-I406 WeakPolarHBondContact O-CD1 3.03Å; L402-I406 VanDerWaalsContact O-CG1 3.24Å; L402-I406 WeakPolarHBondContact O-CG1 3.44Å; L402-I406 PolarHBondContact O-N 3.41Å
403	R	97.3	Very high	97.1	Very high	137 Å²	137	68.7 Å²	68.7	52%	0.517	33%	0.331	S	S	.	.	H	α-helix	trans	-61.8	-45.9	174.9	-79.6	177.5	176.1	175.7	2.9	111.8	L368 V399 L400 I406 E407	L368-R403 HydrophobicContact CD1-CG 4.08Å; L368-R403 HydrophobicContact CD2-CG 4.35Å; V399-R403 WeakPolarHBondContact O-CB 3.48Å; V399-R403 VanDerWaalsContact O-CG 3.26Å; V399-R403 WeakPolarHBondContact O-CG 3.4Å; V399-R403 PolarHBondContact O-N 2.9Å; L400-R403 PolarHBondContact O-N 3Å; R403-I406 PolarHBondContact O-N 2.88Å; R403-E407 PolarHBondContact O-N 2.94Å
404	K	96.9	Very high	97.1	Very high	136 Å²	136	71 Å²	71	59%	0.591	34%	0.337	S	S	*	.	H	α-helix	trans	-60	-50	176.4	179.9	179	169.8	-177.3	0	111	L400 E401 I406 E407 E408	L400-K404 WeakPolarHBondContact O-CB 3.41Å; L400-K404 PolarHBondContact O-N 3.37Å; E401-K404 PolarHBondContact O-N 3.5Å; K404-I406 VanDerWaalsContact C-N 3.33Å; K404-I406 PolarHBondContact O-N 3.49Å; K404-E407 PolarHBondContact O-N 3.18Å; K404-E407 VanDerWaalsContact O-N 3.12Å; K404-E408 WeakPolarHBondContact CE-OE1 3.36Å; K404-E408 IonicContact NZ-OE1 3.05Å; K404-E408 WeakPolarHBondContact O-CG 3.5Å; K404-E408 PolarHBondContact O-N 3.34Å
405	T	96.6	Very high	97.2	Very high	50 Å²	50	72 Å²	72	31%	0.307	34%	0.34	S	S	.	.	H	α-helix	trans	-58.3	-44.3	178.3	-55.8	0	0	0	0	111.6	E401 L402 E407 E408 L409	E401-T405 WeakPolarHBondContact O-CB 3.35Å; E401-T405 PolarHBondContact O-N 3.35Å; E401-T405 PolarHBondContact O-OG1 3.37Å; L402-T405 PolarHBondContact O-N 3.47Å; T405-E407 VanDerWaalsContact C-N 3.34Å; T405-E407 PolarHBondContact O-N 2.88Å; T405-E408 PolarHBondContact O-N 3.23Å; T405-L409 HydrophobicContact CG2-CD1 4.08Å; T405-L409 HydrophobicContact CG2-CG 4.44Å; T405-L409 WeakPolarHBondContact O-CB 3.46Å; T405-L409 VanDerWaalsContact O-CG 3.26Å; T405-L409 WeakPolarHBondContact O-CG 3.24Å; T405-L409 PolarHBondContact O-N 2.85Å
406	I	97.3	Very high	97.2	Very high	9 Å²	9	71.6 Å²	71.6	5%	0.046	34%	0.339	C	S	.	.	H	α-helix	trans	-61.8	-41.9	176.9	-75.6	162.4	0	0	0	111.2	T361 K364 I365 L368 L402 R403 K404 K410	T361-I406 HydrophobicContact CG2-CG2 4.22Å; K364-I406 HydrophobicContact CB-CD1 4.08Å; K364-I406 HydrophobicContact CB-CG1 3.81Å; I365-I406 HydrophobicContact CD1-CD1 4.05Å; L368-I406 HydrophobicContact CB-CD1 4.34Å; L368-I406 HydrophobicContact CD2-CD1 3.68Å; L402-I406 WeakPolarHBondContact O-CB 3.43Å; L402-I406 WeakPolarHBondContact O-CD1 3.03Å; L402-I406 VanDerWaalsContact O-CG1 3.24Å; L402-I406 WeakPolarHBondContact O-CG1 3.44Å; L402-I406 PolarHBondContact O-N 3.41Å; R403-I406 PolarHBondContact O-N 2.88Å; K404-I406 VanDerWaalsContact C-N 3.33Å; K404-I406 PolarHBondContact O-N 3.49Å; I406-K410 HydrophobicContact CG2-CD 4.15Å; I406-K410 WeakPolarHBondContact O-CB 3.25Å; I406-K410 VanDerWaalsContact O-CG 3.27Å; I406-K410 WeakPolarHBondContact O-CG 3.46Å; I406-K410 PolarHBondContact O-N 3.48Å
407	E	96.7	Very high	97.3	Very high	77 Å²	77	72.3 Å²	72.3	36%	0.36	35%	0.345	S	S	.	.	H	α-helix	trans	-69.6	-39.2	178.2	-168.7	57.1	-152.6	0	0	112	R403 K404 T405 K410 N411 R414	R403-E407 PolarHBondContact O-N 2.94Å; K404-E407 PolarHBondContact O-N 3.18Å; K404-E407 VanDerWaalsContact O-N 3.12Å; T405-E407 VanDerWaalsContact C-N 3.34Å; T405-E407 PolarHBondContact O-N 2.88Å; E407-K410 PolarHBondContact O-N 3.44Å; E407-N411 WeakPolarHBondContact O-CB 3.33Å; E407-N411 VanDerWaalsContact O-CG 3.31Å; E407-N411 PolarHBondContact O-N 3.08Å; E407-N411 PolarHBondContact O-ND2 3.24Å; E407-R414 IonicContact OE1-CZ 2.81Å; E407-R414 IonicContact OE1-NH1 3.55Å; E407-R414 PolarHBondContact OE1-NH1 3.5Å
408	E	97.4	Very high	97.3	Very high	91 Å²	91	73.2 Å²	73.2	43%	0.425	35%	0.346	S	S	.	.	H	α-helix	trans	-60	-46.2	172.8	-73.2	173	177.1	0	0	111.8	K404 T405 K410 N411 N412	K404-E408 WeakPolarHBondContact CE-OE1 3.36Å; K404-E408 IonicContact NZ-OE1 3.05Å; K404-E408 WeakPolarHBondContact O-CG 3.5Å; K404-E408 PolarHBondContact O-N 3.34Å; T405-E408 PolarHBondContact O-N 3.23Å; E408-K410 VanDerWaalsContact C-N 3.35Å; E408-K410 PolarHBondContact O-N 2.91Å; E408-N411 PolarHBondContact O-N 3.39Å; E408-N412 WeakPolarHBondContact O-CB 3.42Å; E408-N412 PolarHBondContact O-N 3.46Å
409	L	97.6	Very high	97.3	Very high	24 Å²	24	73.4 Å²	73.4	13%	0.126	35%	0.351	C	S	.	.	H	α-helix	trans	-62.5	-40.6	175.5	-70.2	170.4	0	0	0	111.9	L357 T360 T361 K364 T405 N412 R413	L357-L409 HydrophobicContact CD2-CD2 3.84Å; T360-L409 HydrophobicContact CG2-CD1 3.81Å; T360-L409 HydrophobicContact CG2-CD2 4.24Å; T361-L409 WeakPolarHBondContact OG1-CB 3.28Å; K364-L409 HydrophobicContact CG-CD1 4.46Å; T405-L409 HydrophobicContact CG2-CD1 4.08Å; T405-L409 HydrophobicContact CG2-CG 4.44Å; T405-L409 WeakPolarHBondContact O-CB 3.46Å; T405-L409 VanDerWaalsContact O-CG 3.26Å; T405-L409 WeakPolarHBondContact O-CG 3.24Å; T405-L409 PolarHBondContact O-N 2.85Å; L409-N412 PolarHBondContact O-N 3.33Å; L409-R413 WeakPolarHBondContact O-CB 3.47Å; L409-R413 PolarHBondContact O-N 3.28Å
410	K	97.3	Very high	97.3	Very high	73 Å²	73	74.1 Å²	74.1	32%	0.317	36%	0.355	S	S	.	.	H	α-helix	trans	-63.5	-41.7	174.2	-77	174.4	-179.6	177.7	0	111.9	T361 I406 E407 E408 R413 R414	T361-K410 HydrophobicContact CG2-CG 4.22Å; I406-K410 HydrophobicContact CG2-CD 4.15Å; I406-K410 WeakPolarHBondContact O-CB 3.25Å; I406-K410 VanDerWaalsContact O-CG 3.27Å; I406-K410 WeakPolarHBondContact O-CG 3.46Å; I406-K410 PolarHBondContact O-N 3.48Å; E407-K410 PolarHBondContact O-N 3.44Å; E408-K410 VanDerWaalsContact C-N 3.35Å; E408-K410 PolarHBondContact O-N 2.91Å; K410-R413 PolarHBondContact O-N 2.87Å; K410-R414 WeakPolarHBondContact O-CG 2.9Å; K410-R414 PolarHBondContact O-N 3.05Å
411	N	97.5	Very high	97.3	Very high	60 Å²	60	71.1 Å²	71.1	32%	0.321	35%	0.347	S	S	.	.	H	α-helix	trans	-66	-45.1	176.9	-75.8	-26.4	0	0	0	111.8	E407 E408 R413 R414 N415	E407-N411 WeakPolarHBondContact O-CB 3.33Å; E407-N411 VanDerWaalsContact O-CG 3.31Å; E407-N411 PolarHBondContact O-N 3.08Å; E407-N411 PolarHBondContact O-ND2 3.24Å; E408-N411 PolarHBondContact O-N 3.39Å; N411-R413 VanDerWaalsContact C-N 3.26Å; N411-R413 PolarHBondContact O-N 3.4Å; N411-R414 WeakPolarHBondContact O-CB 3.4Å; N411-R414 PolarHBondContact O-N 2.99Å; N411-R414 VanDerWaalsContact O-N 3.11Å; N411-R414 PolarHBondContact OD1-NH1 3.11Å; N411-N415 PolarHBondContact O-N 3.36Å
412	N	97.8	Very high	97.4	Very high	87 Å²	87	74 Å²	74	47%	0.465	35%	0.352	S	S	.	.	H	α-helix	trans	-59.4	-40.1	173.4	-71.8	-14.3	0	0	0	111.3	L357 E408 L409 N415 A416	L357-N412 HydrophobicContact CD1-CB 4.22Å; L357-N412 HydrophobicContact CD2-CB 4.17Å; E408-N412 WeakPolarHBondContact O-CB 3.42Å; E408-N412 PolarHBondContact O-N 3.46Å; L409-N412 PolarHBondContact O-N 3.33Å; N412-N415 PolarHBondContact O-N 3.36Å; N412-A416 WeakPolarHBondContact O-CB 3.38Å; N412-A416 PolarHBondContact O-N 2.91Å
413	R	97.6	Very high	97.4	Very high	71 Å²	71	74.5 Å²	74.5	27%	0.268	36%	0.355	S	S	.	.	H	α-helix	trans	-64.7	-41.4	174.6	-168.1	177.9	69.2	-176	1.8	111.8	I354 L357 L409 K410 N411 A416 N417	I354-R413 HydrophobicContact CG2-CG 4.32Å; L357-R413 HydrophobicContact CB-CB 4.2Å; L357-R413 HydrophobicContact CB-CG 4.39Å; L357-R413 HydrophobicContact CD1-CB 4.23Å; L409-R413 WeakPolarHBondContact O-CB 3.47Å; L409-R413 PolarHBondContact O-N 3.28Å; K410-R413 PolarHBondContact O-N 2.87Å; N411-R413 VanDerWaalsContact C-N 3.26Å; N411-R413 PolarHBondContact O-N 3.4Å; R413-A416 PolarHBondContact O-N 3.5Å; R413-N417 PolarHBondContact O-N 2.9Å; R413-N417 PolarHBondContact O-ND2 2.98Å
414	R	97.5	Very high	97.5	Very high	135 Å²	135	72.1 Å²	72.1	51%	0.509	35%	0.35	S	S	.	.	H	α-helix	trans	-59.6	-47	174	-72.9	171.7	-178.1	144	-1.5	110.8	E407 K410 N411 A416 N417 I418	E407-R414 IonicContact OE1-CZ 2.81Å; E407-R414 IonicContact OE1-NH1 3.55Å; E407-R414 PolarHBondContact OE1-NH1 3.5Å; K410-R414 WeakPolarHBondContact O-CG 2.9Å; K410-R414 PolarHBondContact O-N 3.05Å; N411-R414 WeakPolarHBondContact O-CB 3.4Å; N411-R414 PolarHBondContact O-N 2.99Å; N411-R414 VanDerWaalsContact O-N 3.11Å; N411-R414 PolarHBondContact OD1-NH1 3.11Å; R414-A416 PolarHBondContact O-N 2.85Å; R414-N417 PolarHBondContact O-N 3.46Å; R414-I418 WeakPolarHBondContact O-CG1 3.42Å; R414-I418 PolarHBondContact O-N 2.77Å
415	N	97.5	Very high	97.5	Very high	94 Å²	94	73.7 Å²	73.7	50%	0.503	36%	0.357	S	S	.	.	H	α-helix	trans	-61.5	-44.1	177.6	-69.1	-18.9	0	0	0	111.9	N411 N412 N417 I418 T419	N411-N415 PolarHBondContact O-N 3.36Å; N412-N415 PolarHBondContact O-N 3.36Å; N415-N417 VanDerWaalsContact C-N 3.34Å; N415-N417 PolarHBondContact O-N 2.92Å; N415-I418 PolarHBondContact O-N 3.27Å; N415-T419 PolarHBondContact O-N 2.87Å; N415-T419 PolarHBondContact O-OG1 3.28Å
416	A	97.6	Very high	97.6	Very high	9 Å²	9	73.7 Å²	73.7	7%	0.074	36%	0.359	C	S	.	.	H	α-helix	trans	-61.1	-40.6	175.7	0	0	0	0	0	112.2	V350 I354 L357 N412 R413 R414 I418 T419 L420	V350-A416 HydrophobicContact CG1-CB 4.38Å; V350-A416 WeakPolarHBondContact CG1-O 3.44Å; I354-A416 HydrophobicContact CD1-CB 4.28Å; I354-A416 HydrophobicContact CG1-CB 3.65Å; L357-A416 HydrophobicContact CD1-CB 4.35Å; N412-A416 WeakPolarHBondContact O-CB 3.38Å; N412-A416 PolarHBondContact O-N 2.91Å; R413-A416 PolarHBondContact O-N 3.5Å; R414-A416 PolarHBondContact O-N 2.85Å; A416-I418 PolarHBondContact O-N 3.33Å; A416-T419 PolarHBondContact O-N 2.76Å; A416-L420 WeakPolarHBondContact O-CB 3.29Å; A416-L420 PolarHBondContact O-N 3.05Å
417	N	97.7	Very high	97.6	Very high	76 Å²	76	77.6 Å²	77.6	41%	0.406	37%	0.373	S	S	.	.	H	α-helix	trans	-63	-39	174.1	-79.5	-73.8	0	0	0	112.5	R413 R414 N415 L420 A421	R413-N417 PolarHBondContact O-N 2.9Å; R413-N417 PolarHBondContact O-ND2 2.98Å; R414-N417 PolarHBondContact O-N 3.46Å; N415-N417 VanDerWaalsContact C-N 3.34Å; N415-N417 PolarHBondContact O-N 2.92Å; N417-L420 PolarHBondContact O-N 3.41Å; N417-A421 PolarHBondContact O-N 3.23Å; N417-A421 VanDerWaalsContact O-N 3.08Å
418	I	97.6	Very high	97.7	Very high	86 Å²	86	76.9 Å²	76.9	44%	0.441	37%	0.374	S	S	.	.	H	α-helix	trans	-64.5	-44	175	-66.4	166.4	0	0	0	110.4	R414 N415 A416 L420 A421 R422	R414-I418 WeakPolarHBondContact O-CG1 3.42Å; R414-I418 PolarHBondContact O-N 2.77Å; N415-I418 PolarHBondContact O-N 3.27Å; A416-I418 PolarHBondContact O-N 3.33Å; I418-L420 VanDerWaalsContact C-N 3.34Å; I418-A421 PolarHBondContact O-N 3.35Å; I418-R422 WeakPolarHBondContact O-CG 3.33Å; I418-R422 PolarHBondContact O-N 2.89Å; I418-R422 VanDerWaalsContact O-N 3.09Å
419	T	97.5	Very high	97.7	Very high	62 Å²	62	75.5 Å²	75.5	38%	0.38	37%	0.374	S	S	.	.	H	α-helix	trans	-60.7	-43.7	175.4	-60.9	0	0	0	0	111.4	V350 N415 A416 A421 R422 L423	V350-T419 HydrophobicContact CG2-CG2 4.35Å; N415-T419 PolarHBondContact O-N 2.87Å; N415-T419 PolarHBondContact O-OG1 3.28Å; A416-T419 PolarHBondContact O-N 2.76Å; T419-A421 PolarHBondContact O-N 3.34Å; T419-R422 WeakPolarHBondContact O-CB 3.46Å; T419-R422 PolarHBondContact O-N 2.84Å; T419-L423 HydrophobicContact CG2-CD1 4.07Å; T419-L423 HydrophobicContact CG2-CG 4.4Å; T419-L423 WeakPolarHBondContact O-CG 3.4Å; T419-L423 PolarHBondContact O-N 2.89Å
420	L	97.5	Very high	97.7	Very high	22 Å²	22	75.4 Å²	75.4	12%	0.115	37%	0.374	C	S	.	.	H	α-helix	trans	-56.8	-48.7	176.6	-171.6	73.1	0	0	0	111.4	L347 V350 E351 I354 A416 N417 I418 R422 L423 Q424	L347-L420 HydrophobicContact CD2-CD1 3.58Å; L347-L420 HydrophobicContact CD2-CG 4.36Å; V350-L420 HydrophobicContact CB-CD1 4.28Å; V350-L420 HydrophobicContact CG1-CB 3.95Å; V350-L420 HydrophobicContact CG1-CD1 4.04Å; E351-L420 HydrophobicContact CG-CD1 3.63Å; E351-L420 HydrophobicContact CG-CD2 4.21Å; I354-L420 HydrophobicContact CD1-CB 4.17Å; I354-L420 HydrophobicContact CD1-CD2 3.88Å; A416-L420 WeakPolarHBondContact O-CB 3.29Å; A416-L420 PolarHBondContact O-N 3.05Å; N417-L420 PolarHBondContact O-N 3.41Å; I418-L420 VanDerWaalsContact C-N 3.34Å; L420-R422 VanDerWaalsContact C-N 3.31Å; L420-R422 PolarHBondContact O-N 2.85Å; L420-L423 PolarHBondContact O-N 3.47Å; L420-Q424 WeakPolarHBondContact O-CG 3.41Å; L420-Q424 PolarHBondContact O-N 2.94Å
421	A	97.4	Very high	97.8	Very high	53 Å²	53	75.8 Å²	75.8	44%	0.438	38%	0.377	S	S	.	.	H	α-helix	trans	-61.7	-38.2	178.3	0	0	0	0	0	112.6	N417 I418 T419 Q424 K425	N417-A421 PolarHBondContact O-N 3.23Å; N417-A421 VanDerWaalsContact O-N 3.08Å; I418-A421 PolarHBondContact O-N 3.35Å; T419-A421 PolarHBondContact O-N 3.34Å; A421-Q424 PolarHBondContact O-N 3.3Å; A421-K425 PolarHBondContact O-N 3.22Å; A421-K425 VanDerWaalsContact O-N 3.09Å
422	R	98	Very high	97.8	Very high	180 Å²	180	78.4 Å²	78.4	68%	0.679	39%	0.387	S	S	*	.	H	α-helix	trans	-65.1	-44.2	175	-70.3	174.6	-178.5	-175.8	0.9	111.8	I418 T419 L420 K425 S426	I418-R422 WeakPolarHBondContact O-CG 3.33Å; I418-R422 PolarHBondContact O-N 2.89Å; I418-R422 VanDerWaalsContact O-N 3.09Å; T419-R422 WeakPolarHBondContact O-CB 3.46Å; T419-R422 PolarHBondContact O-N 2.84Å; L420-R422 VanDerWaalsContact C-N 3.31Å; L420-R422 PolarHBondContact O-N 2.85Å; R422-K425 PolarHBondContact O-N 2.82Å; R422-S426 PolarHBondContact O-N 2.89Å
423	L	98.1	Very high	97.8	Very high	33 Å²	33	77.6 Å²	77.6	17%	0.173	38%	0.38	C	S	.	.	H	α-helix	trans	-64.4	-39.5	176.8	-72.3	171.4	0	0	0	111.6	V343 E346 L347 V350 T419 L420 S426 R427	V343-L423 HydrophobicContact CG1-CB 4.45Å; V343-L423 HydrophobicContact CG1-CD2 4.21Å; E346-L423 HydrophobicContact CB-CD1 4.02Å; E346-L423 HydrophobicContact CB-CD2 4.39Å; L347-L423 HydrophobicContact CD2-CB 3.38Å; L347-L423 HydrophobicContact CD2-CD1 4.3Å; L347-L423 HydrophobicContact CD2-CG 4.49Å; L347-L423 HydrophobicContact CG-CB 3.85Å; V350-L423 HydrophobicContact CG2-CD1 4.05Å; T419-L423 HydrophobicContact CG2-CD1 4.07Å; T419-L423 HydrophobicContact CG2-CG 4.4Å; T419-L423 WeakPolarHBondContact O-CG 3.4Å; T419-L423 PolarHBondContact O-N 2.89Å; L420-L423 PolarHBondContact O-N 3.47Å; L423-S426 CarbonylContact O-C 3.58Å; L423-S426 WeakPolarHBondContact O-CB 3.37Å; L423-S426 PolarHBondContact O-N 2.84Å; L423-R427 PolarHBondContact O-N 3.3Å
424	Q	98.1	Very high	97.8	Very high	86 Å²	86	74.8 Å²	74.8	40%	0.402	37%	0.371	S	S	.	.	H	α-helix	trans	-61	-45.7	175.3	-74.8	174.3	-19.5	0	0	111.6	L347 L420 A421 S426 R427 T428	L347-Q424 HydrophobicContact CD2-CG 3.78Å; L420-Q424 WeakPolarHBondContact O-CG 3.41Å; L420-Q424 PolarHBondContact O-N 2.94Å; A421-Q424 PolarHBondContact O-N 3.3Å; Q424-S426 VanDerWaalsContact C-N 3.32Å; Q424-S426 PolarHBondContact O-N 2.95Å; Q424-R427 WeakPolarHBondContact O-CB 3.26Å; Q424-R427 PolarHBondContact O-N 3.44Å; Q424-T428 PolarHBondContact O-N 2.77Å; Q424-T428 VanDerWaalsContact O-N 3.09Å
425	K	98	Very high	97.8	Very high	169 Å²	169	74.9 Å²	74.9	74%	0.735	38%	0.377	S	S	*	.	H	α-helix	trans	-60.5	-42.4	174	-174.8	178	179.5	179.8	0	111.6	A421 R422 R427 T428 S429	A421-K425 PolarHBondContact O-N 3.22Å; A421-K425 VanDerWaalsContact O-N 3.09Å; R422-K425 PolarHBondContact O-N 2.82Å; K425-R427 VanDerWaalsContact C-N 3.32Å; K425-R427 PolarHBondContact O-N 3Å; K425-T428 PolarHBondContact O-N 3.47Å; K425-S429 WeakPolarHBondContact O-CB 3.46Å; K425-S429 PolarHBondContact O-N 3.37Å
426	S	98	Very high	97.8	Very high	50 Å²	50	71.7 Å²	71.7	35%	0.35	36%	0.361	S	S	.	.	H	α-helix	trans	-62.4	-38.9	175.7	-168.9	0	0	0	0	112.1	R422 L423 Q424 S429 L430	R422-S426 PolarHBondContact O-N 2.89Å; L423-S426 CarbonylContact O-C 3.58Å; L423-S426 WeakPolarHBondContact O-CB 3.37Å; L423-S426 PolarHBondContact O-N 2.84Å; Q424-S426 VanDerWaalsContact C-N 3.32Å; Q424-S426 PolarHBondContact O-N 2.95Å; S426-S429 PolarHBondContact O-N 2.68Å; S426-L430 WeakPolarHBondContact O-CB 3.45Å; S426-L430 VanDerWaalsContact O-CG 3.28Å; S426-L430 WeakPolarHBondContact O-CG 3.36Å; S426-L430 PolarHBondContact O-N 3.49Å
427	R	98.1	Very high	97.8	Very high	92 Å²	92	72.1 Å²	72.1	35%	0.347	36%	0.361	S	S	.	.	H	α-helix	trans	-60.5	-52.9	176.9	-167.3	-170.5	75.5	-160.5	-1.6	110.9	L340 V343 L347 L423 Q424 K425 S429 L430 E431	L340-R427 HydrophobicContact CD1-CB 4.4Å; L340-R427 HydrophobicContact CD1-CG 3.45Å; L340-R427 VanDerWaalsContact CD1-CG 3.45Å; V343-R427 HydrophobicContact CG1-CB 4.17Å; L347-R427 HydrophobicContact CD1-CB 4.2Å; L347-R427 HydrophobicContact CD1-CG 4.41Å; L423-R427 PolarHBondContact O-N 3.3Å; Q424-R427 WeakPolarHBondContact O-CB 3.26Å; Q424-R427 PolarHBondContact O-N 3.44Å; K425-R427 VanDerWaalsContact C-N 3.32Å; K425-R427 PolarHBondContact O-N 3Å; R427-S429 VanDerWaalsContact C-N 3.31Å; R427-S429 PolarHBondContact O-N 2.93Å; R427-L430 PolarHBondContact O-N 2.87Å; R427-L430 VanDerWaalsContact O-N 3.15Å; R427-E431 IonicContact NE-OE1 3.99Å; R427-E431 PolarHBondContact NE-OE1 3.38Å; R427-E431 WeakPolarHBondContact O-CG 3.4Å; R427-E431 PolarHBondContact O-N 3.46Å
428	T	98.1	Very high	97.8	Very high	62 Å²	62	72.3 Å²	72.3	38%	0.38	36%	0.359	S	S	.	.	H	α-helix	trans	-59.3	-41.4	177.6	-70.9	0	0	0	0	112.2	Q424 K425 L430 E431 Q432	Q424-T428 PolarHBondContact O-N 2.77Å; Q424-T428 VanDerWaalsContact O-N 3.09Å; K425-T428 PolarHBondContact O-N 3.47Å; T428-L430 PolarHBondContact O-N 2.85Å; T428-E431 PolarHBondContact O-N 3.35Å; T428-Q432 WeakPolarHBondContact O-CG 3.44Å; T428-Q432 PolarHBondContact O-N 3.12Å
429	S	97.7	Very high	97.9	Very high	62 Å²	62	70.6 Å²	70.6	43%	0.434	35%	0.351	S	S	.	.	H	α-helix	trans	-63.5	-40.7	176.5	-175	0	0	0	0	112.3	K425 S426 R427 E433	K425-S429 WeakPolarHBondContact O-CB 3.46Å; K425-S429 PolarHBondContact O-N 3.37Å; S426-S429 PolarHBondContact O-N 2.68Å; R427-S429 VanDerWaalsContact C-N 3.31Å; R427-S429 PolarHBondContact O-N 2.93Å; S429-E433 WeakPolarHBondContact O-CG 3.36Å; S429-E433 PolarHBondContact O-N 3.03Å
430	L	98.3	Very high	97.9	Very high	22 Å²	22	67.7 Å²	67.7	12%	0.115	33%	0.333	C	S	.	.	H	α-helix	trans	-67.3	-40	176.5	-73.4	168.8	0	0	0	111.8	L336 L340 V343 S426 R427 T428 E433 I434	L336-L430 HydrophobicContact CD2-CD2 3.65Å; L340-L430 HydrophobicContact CB-CB 4.36Å; L340-L430 HydrophobicContact CB-CD1 4.35Å; L340-L430 HydrophobicContact CD1-CB 4.13Å; V343-L430 HydrophobicContact CB-CD1 4.39Å; V343-L430 HydrophobicContact CG2-CD1 3.93Å; S426-L430 WeakPolarHBondContact O-CB 3.45Å; S426-L430 VanDerWaalsContact O-CG 3.28Å; S426-L430 WeakPolarHBondContact O-CG 3.36Å; S426-L430 PolarHBondContact O-N 3.49Å; R427-L430 PolarHBondContact O-N 2.87Å; R427-L430 VanDerWaalsContact O-N 3.15Å; T428-L430 PolarHBondContact O-N 2.85Å; L430-E433 PolarHBondContact O-N 3.38Å; L430-I434 WeakPolarHBondContact O-CB 3.27Å; L430-I434 WeakPolarHBondContact O-CD1 3.49Å; L430-I434 WeakPolarHBondContact O-CG1 3.44Å; L430-I434 PolarHBondContact O-N 2.9Å
431	E	98	Very high	97.9	Very high	80 Å²	80	67 Å²	67	37%	0.374	33%	0.33	S	S	.	.	H	α-helix	trans	-59.4	-47.5	175.6	-72.9	164.4	170.4	0	0	111.2	L340 R427 T428 E433 I434 E435	L340-E431 HydrophobicContact CD1-CG 4.07Å; L340-E431 HydrophobicContact CD2-CG 4.07Å; R427-E431 IonicContact NE-OE1 3.99Å; R427-E431 PolarHBondContact NE-OE1 3.38Å; R427-E431 WeakPolarHBondContact O-CG 3.4Å; R427-E431 PolarHBondContact O-N 3.46Å; T428-E431 PolarHBondContact O-N 3.35Å; E431-E433 PolarHBondContact O-N 3.41Å; E431-I434 PolarHBondContact O-N 2.96Å; E431-E435 PolarHBondContact O-N 2.95Å
432	Q	97.3	Very high	97.9	Very high	116 Å²	116	68 Å²	68	54%	0.542	33%	0.333	S	S	.	.	H	α-helix	trans	-63.1	-41.3	177.2	-71.8	174.1	-15	0	0	112.9	T428 E435 T436	T428-Q432 WeakPolarHBondContact O-CG 3.44Å; T428-Q432 PolarHBondContact O-N 3.12Å; Q432-E435 PolarHBondContact O-N 3.4Å; Q432-T436 PolarHBondContact O-N 2.85Å; Q432-T436 PolarHBondContact O-OG1 3.24Å
433	E	97.8	Very high	97.9	Very high	69 Å²	69	59.7 Å²	59.7	32%	0.322	30%	0.303	S	S	.	.	H	α-helix	trans	-65.6	-39.8	175.7	-77.6	-67.3	168.6	0	0	111.7	L336 S429 L430 E431 T436 K437	L336-E433 HydrophobicContact CD1-CB 3.9Å; L336-E433 HydrophobicContact CD2-CB 4.43Å; S429-E433 WeakPolarHBondContact O-CG 3.36Å; S429-E433 PolarHBondContact O-N 3.03Å; L430-E433 PolarHBondContact O-N 3.38Å; E431-E433 PolarHBondContact O-N 3.41Å; E433-T436 WeakPolarHBondContact O-CB 3.29Å; E433-T436 PolarHBondContact O-N 3.13Å; E433-K437 VanDerWaalsContact O-CG 3.31Å; E433-K437 WeakPolarHBondContact O-CG 3.35Å; E433-K437 PolarHBondContact O-N 3.3Å; E433-K437 IonicContact OE2-NZ 3.25Å; E433-K437 PolarHBondContact OE2-NZ 3.41Å
434	I	98.1	Very high	97.9	Very high	13 Å²	13	58.2 Å²	58.2	7%	0.067	30%	0.295	C	S	.	.	H	α-helix	trans	-61.7	-46.7	175.5	-71.3	161.6	0	0	0	110.6	R333 L336 R337 L340 L430 E431 T436 K437 E438	R333-I434 HydrophobicContact CG-CG2 4.23Å; L336-I434 HydrophobicContact CB-CD1 4.19Å; L336-I434 HydrophobicContact CB-CG1 3.63Å; L336-I434 HydrophobicContact CD1-CG1 4.43Å; R337-I434 HydrophobicContact CB-CD1 4.46Å; R337-I434 HydrophobicContact CG-CD1 3.78Å; R337-I434 HydrophobicContact CG-CG1 4.17Å; R337-I434 HydrophobicContact CG-CG2 4.3Å; L340-I434 HydrophobicContact CB-CD1 4.18Å; L340-I434 HydrophobicContact CD2-CD1 3.69Å; L430-I434 WeakPolarHBondContact O-CB 3.27Å; L430-I434 WeakPolarHBondContact O-CD1 3.49Å; L430-I434 WeakPolarHBondContact O-CG1 3.44Å; L430-I434 PolarHBondContact O-N 2.9Å; E431-I434 PolarHBondContact O-N 2.96Å; I434-T436 VanDerWaalsContact C-N 3.28Å; I434-T436 PolarHBondContact O-N 3.36Å; I434-K437 PolarHBondContact O-N 2.95Å; I434-K437 VanDerWaalsContact O-N 3.15Å; I434-E438 HydrophobicContact CG2-CG 4.33Å; I434-E438 WeakPolarHBondContact CG2-OE1 3.33Å; I434-E438 WeakPolarHBondContact O-CG 3.26Å; I434-E438 PolarHBondContact O-N 3.2Å
435	E	97.7	Very high	97.9	Very high	136 Å²	136	59.4 Å²	59.4	64%	0.636	30%	0.3	S	S	*	.	H	α-helix	trans	-57.5	-42.7	176.5	-177.2	177.4	-168.4	0	0	111.3	E431 Q432 K437 E438 N439	E431-E435 PolarHBondContact O-N 2.95Å; Q432-E435 PolarHBondContact O-N 3.4Å; E435-K437 PolarHBondContact O-N 3.14Å; E435-E438 PolarHBondContact O-N 3.49Å; E435-N439 PolarHBondContact O-N 3.05Å
436	T	97.8	Very high	97.9	Very high	28 Å²	28	56.7 Å²	56.7	17%	0.172	29%	0.286	C	S	.	.	H	α-helix	trans	-59.3	-46.7	175.1	-57.8	0	0	0	0	111.6	H181 D184 Q432 E433 I434 E438 N439 S440	H181-T436 WeakPolarHBondContact O-CG2 3.27Å; D184-T436 HydrophobicContact CB-CG2 4.29Å; Q432-T436 PolarHBondContact O-N 2.85Å; Q432-T436 PolarHBondContact O-OG1 3.24Å; E433-T436 WeakPolarHBondContact O-CB 3.29Å; E433-T436 PolarHBondContact O-N 3.13Å; I434-T436 VanDerWaalsContact C-N 3.28Å; I434-T436 PolarHBondContact O-N 3.36Å; T436-E438 VanDerWaalsContact C-N 3.34Å; T436-E438 PolarHBondContact O-N 3.09Å; T436-N439 PolarHBondContact O-N 3.34Å; T436-S440 PolarHBondContact O-N 3.23Å; T436-S440 VanDerWaalsContact O-N 3.11Å; T436-S440 PolarHBondContact O-OG 3.03Å
437	K	97.9	Very high	97.8	Very high	17 Å²	17	54.3 Å²	54.3	7%	0.074	27%	0.269	C	S	.	.	H	α-helix	trans	-66.5	-35.5	177.9	-58	-65.7	160.5	-79.1	0	112.1	D184 V329 A332 R333 L336 E433 I434 E435 S440 L441	D184-K437 VanDerWaalsContact OD1-CE 3.27Å; D184-K437 WeakPolarHBondContact OD1-CE 3.32Å; D184-K437 IonicContact OD1-NZ 2.93Å; D184-K437 PolarHBondContact OD1-NZ 2.92Å; D184-K437 WeakPolarHBondContact OD2-CD 3.49Å; D184-K437 IonicContact OD2-NZ 2.75Å; D184-K437 PolarHBondContact OD2-NZ 2.85Å; V329-K437 HydrophobicContact CG1-CB 3.92Å; V329-K437 HydrophobicContact CG1-CD 3.95Å; V329-K437 HydrophobicContact CG1-CG 4.47Å; A332-K437 HydrophobicContact CB-CD 4.39Å; R333-K437 HydrophobicContact CB-CB 3.84Å; R333-K437 HydrophobicContact CB-CG 4.37Å; R333-K437 HydrophobicContact CG-CB 4.2Å; L336-K437 HydrophobicContact CD1-CG 3.97Å; E433-K437 VanDerWaalsContact O-CG 3.31Å; E433-K437 WeakPolarHBondContact O-CG 3.35Å; E433-K437 PolarHBondContact O-N 3.3Å; E433-K437 IonicContact OE2-NZ 3.25Å; E433-K437 PolarHBondContact OE2-NZ 3.41Å; I434-K437 PolarHBondContact O-N 2.95Å; I434-K437 VanDerWaalsContact O-N 3.15Å; E435-K437 PolarHBondContact O-N 3.14Å; K437-S440 PolarHBondContact O-N 3.12Å; K437-L441 WeakPolarHBondContact O-CB 3.38Å; K437-L441 VanDerWaalsContact O-CG 3.3Å; K437-L441 WeakPolarHBondContact O-CG 3.04Å; K437-L441 PolarHBondContact O-N 3.35Å
438	E	97.9	Very high	97.7	Very high	80 Å²	80	51.6 Å²	51.6	37%	0.374	26%	0.261	S	S	.	.	H	α-helix	trans	-65.7	-42.1	176.8	-74.8	176.6	179.6	0	0	112.1	R333 R337 I434 E435 T436 L441 S442	R333-E438 HydrophobicContact CG-CG 4.46Å; R337-E438 IonicContact CZ-OE1 3.47Å; R337-E438 IonicContact NE-OE1 3.52Å; R337-E438 IonicContact NH2-OE1 3.55Å; R337-E438 PolarHBondContact NH2-OE1 3.38Å; I434-E438 HydrophobicContact CG2-CG 4.33Å; I434-E438 WeakPolarHBondContact CG2-OE1 3.33Å; I434-E438 WeakPolarHBondContact O-CG 3.26Å; I434-E438 PolarHBondContact O-N 3.2Å; E435-E438 PolarHBondContact O-N 3.49Å; T436-E438 VanDerWaalsContact C-N 3.34Å; T436-E438 PolarHBondContact O-N 3.09Å; E438-L441 PolarHBondContact O-N 3.21Å; E438-S442 PolarHBondContact O-N 3.25Å
439	N	98	Very high	97.6	Very high	51 Å²	51	52 Å²	52	27%	0.273	27%	0.267	S	S	.	.	H	α-helix	trans	-58.8	-50.2	172.2	174.2	-95.7	0	0	0	111.4	Q179 H181 E435 T436 L441 S442 I443	Q179-N439 PolarHBondContact O-OD1 2.87Å; H181-N439 PolarHBondContact ND1-OD1 3.4Å; E435-N439 PolarHBondContact O-N 3.05Å; T436-N439 PolarHBondContact O-N 3.34Å; N439-L441 VanDerWaalsContact C-N 3.33Å; N439-L441 PolarHBondContact O-N 3.1Å; N439-S442 WeakPolarHBondContact O-CB 3.37Å; N439-S442 PolarHBondContact O-N 3.2Å; N439-I443 WeakPolarHBondContact O-CG1 3.4Å; N439-I443 PolarHBondContact O-N 3.04Å; N439-I443 WeakPolarHBondContact OD1-CD1 3.42Å
440	S	97.9	Very high	97.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-58.5	-41.2	178	-65	0	0	0	0	113.3	R180 D184 T436 K437 I443 D444	R180-S440 PolarHBondContact NH2-O 2.94Å; D184-S440 WeakPolarHBondContact CB-OG 3.46Å; D184-S440 WeakPolarHBondContact OD2-CB 3.24Å; D184-S440 PolarHBondContact OD2-OG 2.86Å; T436-S440 PolarHBondContact O-N 3.23Å; T436-S440 VanDerWaalsContact O-N 3.11Å; T436-S440 PolarHBondContact O-OG 3.03Å; K437-S440 PolarHBondContact O-N 3.12Å; S440-I443 PolarHBondContact O-N 3.06Å; S440-D444 PolarHBondContact O-N 2.8Å
441	L	98	Very high	97.2	Very high	7 Å²	7	49.9 Å²	49.9	4%	0.037	25%	0.249	C	C	.	.	H	α-helix	trans	-64.3	-44.8	176.5	-77.2	167.1	0	0	0	112.2	I326 V329 A330 R333 K437 E438 N439 I443 D444 Q445	I326-L441 HydrophobicContact CG2-CD2 4.04Å; I326-L441 WeakPolarHBondContact O-CD2 3.27Å; V329-L441 HydrophobicContact CB-CD2 3.96Å; V329-L441 HydrophobicContact CB-CG 4.19Å; V329-L441 HydrophobicContact CG1-CD1 4.26Å; V329-L441 HydrophobicContact CG1-CD2 4.04Å; V329-L441 HydrophobicContact CG1-CG 3.68Å; A330-L441 HydrophobicContact CB-CD1 4.43Å; A330-L441 HydrophobicContact CB-CD2 4.14Å; R333-L441 VanDerWaalsContact NH1-CD1 3.33Å; K437-L441 WeakPolarHBondContact O-CB 3.38Å; K437-L441 VanDerWaalsContact O-CG 3.3Å; K437-L441 WeakPolarHBondContact O-CG 3.04Å; K437-L441 PolarHBondContact O-N 3.35Å; E438-L441 PolarHBondContact O-N 3.21Å; N439-L441 VanDerWaalsContact C-N 3.33Å; N439-L441 PolarHBondContact O-N 3.1Å; L441-I443 VanDerWaalsContact C-N 3.3Å; L441-I443 PolarHBondContact O-N 3.35Å; L441-D444 PolarHBondContact O-N 2.84Å; L441-Q445 VanDerWaalsContact O-CB 3.32Å; L441-Q445 WeakPolarHBondContact O-CB 3.37Å; L441-Q445 WeakPolarHBondContact O-CG 3.28Å; L441-Q445 PolarHBondContact O-N 2.89Å
442	S	98.1	Very high	96.8	Very high	74 Å²	74	53.7 Å²	53.7	52%	0.517	27%	0.265	S	S	.	.	H	α-helix	trans	-58.9	-43.8	177.4	-177.8	0	0	0	0	111.3	E438 N439 Q445 R446	E438-S442 PolarHBondContact O-N 3.25Å; N439-S442 WeakPolarHBondContact O-CB 3.37Å; N439-S442 PolarHBondContact O-N 3.2Å; S442-Q445 PolarHBondContact O-N 3.44Å; S442-R446 WeakPolarHBondContact O-CB 3.28Å; S442-R446 PolarHBondContact O-N 3.39Å
443	I	98	Very high	96.3	Very high	7 Å²	7	51.7 Å²	51.7	4%	0.036	26%	0.264	C	S	.	.	H	α-helix	trans	-62.1	-50.1	177.7	-69.9	168.3	0	0	0	111.6	N176 R177 Q179 R180 N439 S440 L441 Q445 R446 C447	N176-I443 HydrophobicContact CB-CG2 4.37Å; N176-I443 WeakPolarHBondContact O-CG2 3.29Å; R177-I443 HydrophobicContact CG-CG2 4.04Å; Q179-I443 HydrophobicContact CB-CD1 4.08Å; Q179-I443 WeakPolarHBondContact O-CD1 3.32Å; R180-I443 HydrophobicContact CG-CD1 3.78Å; N439-I443 WeakPolarHBondContact O-CG1 3.4Å; N439-I443 PolarHBondContact O-N 3.04Å; N439-I443 WeakPolarHBondContact OD1-CD1 3.42Å; S440-I443 PolarHBondContact O-N 3.06Å; L441-I443 VanDerWaalsContact C-N 3.3Å; L441-I443 PolarHBondContact O-N 3.35Å; I443-Q445 PolarHBondContact O-N 3.44Å; I443-R446 WeakPolarHBondContact O-CB 3.4Å; I443-R446 PolarHBondContact O-N 2.92Å; I443-C447 PolarHBondContact O-N 3.44Å; I443-C447 PolarHBondContact O-SG 3.07Å
444	D	97.9	Very high	95.5	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-67.8	-35.8	-179.2	-88.9	-5.2	0	0	0	112.6	R177 R180 L322 I326 S440 L441 R446 C447 L448	R177-D444 IonicContact CZ-OD1 3.54Å; R177-D444 IonicContact NH1-OD1 2.64Å; R177-D444 PolarHBondContact NH1-OD1 2.9Å; R177-D444 IonicContact NH1-OD2 3.47Å; R177-D444 PolarHBondContact NH1-OD2 3.47Å; R180-D444 IonicContact CZ-OD1 3.7Å; R180-D444 IonicContact CZ-OD2 2.75Å; R180-D444 IonicContact NH2-OD1 3.34Å; R180-D444 PolarHBondContact NH2-OD1 2.98Å; R180-D444 IonicContact NH2-OD2 3.95Å; R180-D444 PolarHBondContact NH2-OD2 2.93Å; L322-D444 HydrophobicContact CD2-CB 4.16Å; L322-D444 WeakPolarHBondContact CD2-OD1 3.39Å; I326-D444 HydrophobicContact CD1-CB 3.96Å; I326-D444 HydrophobicContact CG1-CB 3.53Å; S440-D444 PolarHBondContact O-N 2.8Å; L441-D444 PolarHBondContact O-N 2.84Å; D444-R446 VanDerWaalsContact C-N 3.32Å; D444-C447 WeakPolarHBondContact O-CB 3.48Å; D444-C447 PolarHBondContact O-N 2.94Å; D444-L448 WeakPolarHBondContact O-CB 3.28Å; D444-L448 PolarHBondContact O-N 3.16Å
445	Q	97.4	Very high	94.4	Very high	111 Å²	111	50.6 Å²	50.6	52%	0.519	26%	0.263	S	S	.	.	H	α-helix	trans	-63.3	-40.5	174.1	-74.6	172.4	-3.4	0	0	111.4	I326 L441 S442 I443 L448 S449	I326-Q445 HydrophobicContact CD1-CG 4.33Å; L441-Q445 VanDerWaalsContact O-CB 3.32Å; L441-Q445 WeakPolarHBondContact O-CB 3.37Å; L441-Q445 WeakPolarHBondContact O-CG 3.28Å; L441-Q445 PolarHBondContact O-N 2.89Å; S442-Q445 PolarHBondContact O-N 3.44Å; I443-Q445 PolarHBondContact O-N 3.44Å; Q445-L448 PolarHBondContact O-N 3.04Å; Q445-S449 WeakPolarHBondContact O-CB 3.3Å; Q445-S449 PolarHBondContact O-N 3.49Å
446	R	97.3	Very high	92.9	Very high	113 Å²	113	47.1 Å²	47.1	43%	0.426	25%	0.248	S	C	.	.	H	α-helix	trans	-60.8	-48.3	172.2	-178.8	173.7	62.9	-173.9	-3.5	111.1	N176 S442 I443 D444 L448 S449 M450	N176-R446 PolarHBondContact OD1-NH2 3.22Å; S442-R446 WeakPolarHBondContact O-CB 3.28Å; S442-R446 PolarHBondContact O-N 3.39Å; I443-R446 WeakPolarHBondContact O-CB 3.4Å; I443-R446 PolarHBondContact O-N 2.92Å; D444-R446 VanDerWaalsContact C-N 3.32Å; R446-L448 PolarHBondContact O-N 3.31Å; R446-S449 WeakPolarHBondContact O-CB 3.38Å; R446-S449 PolarHBondContact O-N 2.92Å; R446-S449 VanDerWaalsContact O-N 3.12Å; R446-M450 HydrophobicContact CG-SD 4.48Å; R446-M450 WeakPolarHBondContact O-CG 3.44Å; R446-M450 PolarHBondContact O-N 2.88Å
447	C	97.3	Very high	91.1	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-55.1	-49.7	176.6	-65.7	0	0	0	0	111.9	C173 L322 I443 D444 S449 M450 R451	C173-C447 HydrophobicContact CB-CB 4.2Å; L322-C447 HydrophobicContact CD1-CB 4.28Å; L322-C447 HydrophobicContact CD2-CB 4.1Å; I443-C447 PolarHBondContact O-N 3.44Å; I443-C447 PolarHBondContact O-SG 3.07Å; D444-C447 WeakPolarHBondContact O-CB 3.48Å; D444-C447 PolarHBondContact O-N 2.94Å; C447-S449 VanDerWaalsContact C-N 3.3Å; C447-S449 PolarHBondContact O-N 3.12Å; C447-M450 HydrophobicContact CB-CE 4.49Å; C447-M450 PolarHBondContact O-N 3.04Å; C447-R451 VanDerWaalsContact O-CG 3.27Å; C447-R451 WeakPolarHBondContact O-CG 3.5Å; C447-R451 PolarHBondContact O-N 2.73Å; C447-R451 VanDerWaalsContact O-N 3.13Å
448	L	95.2	Very high	88.9	Confident	34 Å²	34	57 Å²	57	18%	0.178	29%	0.291	C	S	.	.	H	α-helix	trans	-64.4	-36.2	179.2	-154.1	156.2	0	0	0	111.4	L322 Q323 I326 D444 Q445 R446 R451 K452	L322-L448 HydrophobicContact CB-CD1 4.12Å; Q323-L448 HydrophobicContact CB-CD1 4.45Å; I326-L448 HydrophobicContact CD1-CD1 3.71Å; D444-L448 WeakPolarHBondContact O-CB 3.28Å; D444-L448 PolarHBondContact O-N 3.16Å; Q445-L448 PolarHBondContact O-N 3.04Å; R446-L448 PolarHBondContact O-N 3.31Å; L448-R451 PolarHBondContact O-N 3.33Å; L448-K452 PolarHBondContact O-N 2.91Å
449	S	95.3	Very high	86.4	Confident	71 Å²	71	62.6 Å²	62.6	50%	0.497	31%	0.314	S	S	.	.	H	α-helix	trans	-64.7	-46.3	175.4	-167.5	0	0	0	0	112.7	Q445 R446 C447 R451 K452	Q445-S449 WeakPolarHBondContact O-CB 3.3Å; Q445-S449 PolarHBondContact O-N 3.49Å; R446-S449 WeakPolarHBondContact O-CB 3.38Å; R446-S449 PolarHBondContact O-N 2.92Å; R446-S449 VanDerWaalsContact O-N 3.12Å; C447-S449 VanDerWaalsContact C-N 3.3Å; C447-S449 PolarHBondContact O-N 3.12Å; S449-R451 VanDerWaalsContact C-N 3.26Å; S449-R451 PolarHBondContact O-N 2.7Å; S449-K452 WeakPolarHBondContact O-CB 3.46Å; S449-K452 PolarHBondContact O-N 3.18Å; S449-K452 VanDerWaalsContact O-N 3.14Å
450	M	94.4	Very high	84	Confident	37 Å²	37	68.3 Å²	68.3	18%	0.182	33%	0.333	C	S	.	.	H	α-helix	trans	-58.8	-41.2	176.8	-65.5	-175.7	-56.3	0	0	111.2	I169 E172 N176 R446 C447 K452 S453	I169-M450 HydrophobicContact CG2-CB 4.36Å; E172-M450 HydrophobicContact CB-CE 4.44Å; E172-M450 HydrophobicContact CG-CE 4.05Å; E172-M450 HydrophobicContact CG-SD 3.94Å; E172-M450 VanDerWaalsContact OE1-SD 3.34Å; N176-M450 WeakPolarHBondContact ND2-CE 3.28Å; R446-M450 HydrophobicContact CG-SD 4.48Å; R446-M450 WeakPolarHBondContact O-CG 3.44Å; R446-M450 PolarHBondContact O-N 2.88Å; C447-M450 HydrophobicContact CB-CE 4.49Å; C447-M450 PolarHBondContact O-N 3.04Å; M450-K452 PolarHBondContact O-N 2.84Å; M450-S453 WeakPolarHBondContact O-CB 3.5Å; M450-S453 PolarHBondContact O-N 3.37Å; M450-S453 VanDerWaalsContact O-N 3.15Å; M450-S453 PolarHBondContact O-OG 3.37Å
451	R	94	Very high	81.5	Confident	2 Å²	2	69.7 Å²	69.7	1%	0.008	35%	0.347	C	S	.	.	H	α-helix	trans	-63.3	-23.4	179.3	-68.4	177.3	77.5	82.3	7.3	113.5	I169 E197 F315 V318 N319 C447 L448 S449 S453 F454	I169-R451 HydrophobicContact CG2-CB 4.33Å; I169-R451 HydrophobicContact CG2-CG 3.42Å; I169-R451 VanDerWaalsContact CG2-CG 3.42Å; E197-R451 VanDerWaalsContact CD-NH2 3.27Å; E197-R451 IonicContact OE1-CZ 3.68Å; E197-R451 IonicContact OE1-NH1 2.81Å; E197-R451 IonicContact OE1-NH2 3.82Å; E197-R451 PolarHBondContact OE1-NH2 2.96Å; E197-R451 IonicContact OE2-CZ 3.56Å; E197-R451 VanDerWaalsContact OE2-CZ 3.26Å; E197-R451 IonicContact OE2-NH1 3.62Å; E197-R451 PolarHBondContact OE2-NH1 3.33Å; E197-R451 IonicContact OE2-NH2 2.77Å; E197-R451 PolarHBondContact OE2-NH2 3.13Å; F315-R451 HydrophobicContact CE2-CB 4.31Å; F315-R451 HydrophobicContact CE2-CG 4.49Å; F315-R451 HydrophobicContact CZ-CB 4.06Å; F315-R451 WeakPolarHBondContact CZ-O 3.49Å; F315-R451 PolarHBondContact O-NH2 3.44Å; V318-R451 VanDerWaalsContact CG1-CZ 3.45Å; N319-R451 WeakPolarHBondContact OD1-CD 3.34Å; N319-R451 PolarHBondContact OD1-NE 3.34Å; C447-R451 VanDerWaalsContact O-CG 3.27Å; C447-R451 WeakPolarHBondContact O-CG 3.5Å; C447-R451 PolarHBondContact O-N 2.73Å; C447-R451 VanDerWaalsContact O-N 3.13Å; L448-R451 PolarHBondContact O-N 3.33Å; S449-R451 VanDerWaalsContact C-N 3.26Å; S449-R451 PolarHBondContact O-N 2.7Å; R451-S453 PolarHBondContact O-N 2.75Å; R451-S453 VanDerWaalsContact O-N 3.08Å; R451-F454 PolarHBondContact O-N 3.44Å
452	K	90.1	Very high	79.2	Confident	160 Å²	160	70.7 Å²	70.7	70%	0.696	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-16.6	175.2	-65.7	175.9	-176.8	176	0	114	L448 S449 M450 F454	L448-K452 PolarHBondContact O-N 2.91Å; S449-K452 WeakPolarHBondContact O-CB 3.46Å; S449-K452 PolarHBondContact O-N 3.18Å; S449-K452 VanDerWaalsContact O-N 3.14Å; M450-K452 PolarHBondContact O-N 2.84Å; K452-F454 PolarHBondContact O-N 3.22Å
453	S	86	Confident	76.9	Confident	75 Å²	75	67.6 Å²	67.6	52%	0.524	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-11.9	173.4	65.5	0	0	0	0	113.5	I169 M450 R451 I456	I169-S453 WeakPolarHBondContact CD1-OG 3.38Å; M450-S453 WeakPolarHBondContact O-CB 3.5Å; M450-S453 PolarHBondContact O-N 3.37Å; M450-S453 VanDerWaalsContact O-N 3.15Å; M450-S453 PolarHBondContact O-OG 3.37Å; R451-S453 PolarHBondContact O-N 2.75Å; R451-S453 VanDerWaalsContact O-N 3.08Å; S453-I456 WeakPolarHBondContact O-CG1 3.27Å
454	F	81.6	Confident	74.6	Confident	9 Å²	9	72.5 Å²	72.5	4%	0.039	35%	0.351	C	S	.	.			trans	-127.6	143.2	178.7	-172.8	-88.6	0	0	0	111.4	Y162 P166 I169 F315 R451 K452	Y162-F454 HydrophobicContact CD1-CE2 4.12Å; Y162-F454 HydrophobicContact CD1-CZ 4.37Å; Y162-F454 AromaticContact CE1-CE2 3.46Å; Y162-F454 HydrophobicContact CE1-CE2 3.46Å; Y162-F454 VanDerWaalsContact CE1-CE2 3.46Å; Y162-F454 AromaticContact CE1-CZ 3.55Å; Y162-F454 HydrophobicContact CE1-CZ 3.55Å; Y162-F454 HydrophobicContact CE2-CE2 4.37Å; Y162-F454 AromaticContact CZ-CE2 3.6Å; Y162-F454 AromaticContact CZ-CZ 3.99Å; P166-F454 HydrophobicContact CB-CD1 4.2Å; P166-F454 HydrophobicContact CB-CD2 4.42Å; P166-F454 HydrophobicContact CB-CE1 4.18Å; P166-F454 HydrophobicContact CB-CE2 4.41Å; P166-F454 HydrophobicContact CB-CG 4.31Å; P166-F454 HydrophobicContact CB-CZ 4.29Å; P166-F454 HydrophobicContact CG-CD2 4.3Å; P166-F454 HydrophobicContact CG-CE1 4.16Å; P166-F454 HydrophobicContact CG-CE2 3.87Å; P166-F454 HydrophobicContact CG-CZ 3.79Å; I169-F454 HydrophobicContact CD1-CB 3.99Å; F315-F454 HydrophobicContact CD1-CD1 4.18Å; F315-F454 AromaticContact CD2-CD1 3.63Å; F315-F454 HydrophobicContact CD2-CD1 3.63Å; F315-F454 HydrophobicContact CD2-CE1 4.13Å; F315-F454 HydrophobicContact CE1-CD1 4.03Å; F315-F454 WeakPolarHBondContact CE1-O 3.3Å; F315-F454 HydrophobicContact CE2-CB 3.96Å; F315-F454 AromaticContact CE2-CD1 3.52Å; F315-F454 HydrophobicContact CE2-CD1 3.52Å; F315-F454 HydrophobicContact CE2-CE1 4.45Å; F315-F454 HydrophobicContact CE2-CG 4.12Å; F315-F454 AromaticContact CG-CD1 4Å; F315-F454 HydrophobicContact CG-CD1 4Å; F315-F454 HydrophobicContact CG-CE1 4.24Å; F315-F454 HydrophobicContact CZ-CB 3.97Å; F315-F454 AromaticContact CZ-CD1 3.72Å; F315-F454 HydrophobicContact CZ-CD1 3.72Å; F315-F454 HydrophobicContact CZ-CG 4.34Å; F315-F454 VanDerWaalsContact CZ-O 3.3Å; F315-F454 WeakPolarHBondContact CZ-O 3.39Å; R451-F454 PolarHBondContact O-N 3.44Å; K452-F454 PolarHBondContact O-N 3.22Å
455	P	74.1	Confident	72	Confident	50 Å²	50	75 Å²	75	33%	0.325	37%	0.373	S	S	.	.	S	Bend	cis	-72.8	140.1	-2.1	29.5	-33.8	0	0	0	112.6	Y162 K457	Y162-P455 WeakPolarHBondContact OH-CB 3.22Å; P455-K457 PolarHBondContact O-N 3.26Å
456	I	67.3	Low	69.5	Low	63 Å²	63	71.8 Å²	71.8	32%	0.323	36%	0.358	S	S	.	.			trans	-68.1	128.9	174.2	-61.3	171.4	0	0	0	108.4	K165 S453 D458	K165-I456 HydrophobicContact CD-CD1 3.43Å; K165-I456 VanDerWaalsContact CD-CD1 3.43Å; S453-I456 WeakPolarHBondContact O-CG1 3.27Å; I456-D458 PolarHBondContact O-N 2.88Å
457	K	59.9	Low	66.6	Low	192 Å²	192	70.9 Å²	70.9	84%	0.835	37%	0.367	S	S	*	.			trans	-77.9	102.6	166.6	-63.2	-177.4	-178.9	-178.2	0	107.4	P455	P455-K457 PolarHBondContact O-N 3.26Å
458	D	50.4	Low	64.1	Low	59 Å²	59	72.7 Å²	72.7	32%	0.316	38%	0.378	S	S	.	.	B	Isolated β-bridge	trans	-88.8	167.9	172.5	-158.7	-5.5	0	0	0	110.5	Y158 I456 Y460 G461	Y158-D458 PolarHBondContact OH-OD2 3.28Å; I456-D458 PolarHBondContact O-N 2.88Å; D458-Y460 PolarHBondContact O-N 3.13Å; D458-Y460 VanDerWaalsContact O-N 3.17Å; D458-G461 PolarHBondContact N-O 3.19Å; D458-G461 CarbonylContact O-C 3.58Å; D458-G461 WeakPolarHBondContact O-CA 3.32Å; D458-G461 PolarHBondContact O-N 3.31Å
459	K	47.2	Very low	61.5	Low	199 Å²	199	74 Å²	74	87%	0.865	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-24.8	176.5	-64.5	-178.7	-179.6	180	0	113	G461	K459-G461 VanDerWaalsContact C-N 3.28Å
460	Y	47.2	Very low	58.6	Low	171 Å²	171	84.5 Å²	84.5	67%	0.671	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	13.1	175.5	-56.2	-73.1	0	0	0	113	D458 A465	D458-Y460 PolarHBondContact O-N 3.13Å; D458-Y460 VanDerWaalsContact O-N 3.17Å; Y460-A465 WeakPolarHBondContact O-CB 3.41Å
461	G	45.8	Very low	56.8	Low	28 Å²	28	86.9 Å²	86.9	29%	0.289	43%	0.433	S	S	.	.	B	Isolated β-bridge	trans	83.4	174.3	-168.1	0	0	0	0	0	112.1	D458 K459	D458-G461 PolarHBondContact N-O 3.19Å; D458-G461 CarbonylContact O-C 3.58Å; D458-G461 WeakPolarHBondContact O-CA 3.32Å; D458-G461 PolarHBondContact O-N 3.31Å; K459-G461 VanDerWaalsContact C-N 3.28Å
462	S	49.8	Very low	54.9	Low	29 Å²	29	91.3 Å²	91.3	20%	0.203	46%	0.455	C	S	.	.	S	Bend	trans	-56.3	145.1	164.1	-175.7	0	0	0	0	107.5	Y464 A465	S462-Y464 CarbonylContact O-C 3.58Å; S462-Y464 PolarHBondContact O-N 2.61Å; S462-Y464 WeakPolarHBondContact OG-CD2 3.44Å; S462-Y464 WeakPolarHBondContact OG-CE2 3.32Å; S462-A465 WeakPolarHBondContact O-CB 3.4Å; S462-A465 PolarHBondContact O-N 2.91Å
463	L	49.2	Very low	52.9	Low	9 Å²	9	87.5 Å²	87.5	5%	0.047	44%	0.442	C	S	.	.	G	3₁₀ helix	trans	-37.7	-29.3	-177	-167.1	79.2	0	0	0	115.5	Y158 N159 Y162 I308 A465 I466	Y158-L463 HydrophobicContact CD1-CD1 4.22Å; Y158-L463 HydrophobicContact CE1-CD1 3.67Å; N159-L463 WeakPolarHBondContact OD1-CD2 3.42Å; Y162-L463 HydrophobicContact CD1-CB 4.42Å; Y162-L463 HydrophobicContact CD1-CD1 4.37Å; Y162-L463 HydrophobicContact CD1-CD2 3.6Å; Y162-L463 HydrophobicContact CD1-CG 4.38Å; Y162-L463 HydrophobicContact CE1-CB 3.89Å; Y162-L463 HydrophobicContact CE1-CD2 3.69Å; Y162-L463 HydrophobicContact CE1-CG 4.32Å; Y162-L463 HydrophobicContact CE2-CB 4.42Å; Y162-L463 HydrophobicContact CG-CD1 4.3Å; Y162-L463 HydrophobicContact CG-CD2 4.32Å; I308-L463 HydrophobicContact CB-CD2 4.35Å; I308-L463 HydrophobicContact CD1-CD2 3.47Å; I308-L463 VanDerWaalsContact CD1-CD2 3.47Å; I308-L463 HydrophobicContact CD1-CG 3.98Å; I308-L463 HydrophobicContact CG1-CD2 3.5Å; I308-L463 HydrophobicContact CG2-CD2 3.93Å; L463-A465 PolarHBondContact O-N 3.33Å; L463-A465 VanDerWaalsContact O-N 3.12Å; L463-I466 HydrophobicContact CD1-CD1 3.67Å; L463-I466 PolarHBondContact O-N 3.23Å
464	Y	48.8	Very low	51	Low	109 Å²	109	88.2 Å²	88.2	43%	0.427	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-58	-11.8	169.1	-46.2	-72.1	0	0	0	116.2	I308 H312 S462	I308-Y464 HydrophobicContact CG2-CD1 4.01Å; I308-Y464 HydrophobicContact CG2-CE1 3.54Å; H312-Y464 HydrophobicContact CB-CE1 4.11Å; H312-Y464 WeakPolarHBondContact CB-OH 3.48Å; H312-Y464 AromaticContact CG-CZ 3.64Å; H312-Y464 AromaticContact ND1-CZ 3.74Å; H312-Y464 PolarHBondContact ND1-OH 2.7Å; S462-Y464 CarbonylContact O-C 3.58Å; S462-Y464 PolarHBondContact O-N 2.61Å; S462-Y464 WeakPolarHBondContact OG-CD2 3.44Å; S462-Y464 WeakPolarHBondContact OG-CE2 3.32Å
465	A	43.2	Very low	49.1	Very low	55 Å²	55	93.2 Å²	93.2	46%	0.455	46%	0.462	S	S	.	.	G	3₁₀ helix	trans	-110.5	-6.3	-178.5	0	0	0	0	0	112.8	Y460 S462 L463 P467	Y460-A465 WeakPolarHBondContact O-CB 3.41Å; S462-A465 WeakPolarHBondContact O-CB 3.4Å; S462-A465 PolarHBondContact O-N 2.91Å; L463-A465 PolarHBondContact O-N 3.33Å; L463-A465 VanDerWaalsContact O-N 3.12Å; A465-P467 WeakPolarHBondContact O-CD 3.26Å; A465-P467 VanDerWaalsContact O-N 3.1Å
466	I	45.2	Very low	47.4	Very low	43 Å²	43	96.1 Å²	96.1	22%	0.221	47%	0.471	C	S	.	.	S	Bend	trans	-66.8	112.4	169.3	-58.2	-174.2	0	0	0	105.5	L155 Y158 L463 V468	L155-I466 HydrophobicContact CD1-CG2 4.31Å; Y158-I466 HydrophobicContact CD1-CD1 4.31Å; Y158-I466 HydrophobicContact CE1-CD1 3.68Å; L463-I466 HydrophobicContact CD1-CD1 3.67Å; L463-I466 PolarHBondContact O-N 3.23Å; I466-V468 PolarHBondContact O-N 3.24Å
467	P	36.8	Very low	46	Very low	94 Å²	94	98.4 Å²	98.4	61%	0.61	48%	0.481	S	S	*	.			trans	-59.9	115	173.6	-12.8	27.9	0	0	0	105.1	A465 S469	A465-P467 WeakPolarHBondContact O-CD 3.26Å; A465-P467 VanDerWaalsContact O-N 3.1Å; P467-S469 PolarHBondContact O-N 3.06Å
468	V	44.2	Very low	44.9	Very low	37 Å²	37	91.2 Å²	91.2	22%	0.224	45%	0.454	C	S	.	.			trans	-59.2	121	162.3	-171.1	0	0	0	0	104.8	D301 R305 I466 Y470	D301-V468 HydrophobicContact CB-CG1 3.73Å; D301-V468 WeakPolarHBondContact OD1-CB 3.46Å; D301-V468 WeakPolarHBondContact OD1-CG1 3.46Å; D301-V468 VanDerWaalsContact OD1-CG2 3.3Å; D301-V468 WeakPolarHBondContact OD1-CG2 3.35Å; R305-V468 HydrophobicContact CG-CG2 4.32Å; I466-V468 PolarHBondContact O-N 3.24Å; V468-Y470 PolarHBondContact O-N 3.48Å
469	S	41.1	Very low	44.4	Very low	62 Å²	62	93.9 Å²	93.9	43%	0.434	47%	0.466	S	S	.	.			trans	-35.2	122.4	-172.2	33.3	0	0	0	0	112.3	P467	P467-S469 PolarHBondContact O-N 3.06Å
470	Y	34.7	Very low	44.2	Very low	291 Å²	291	84.4 Å²	84.4	100%	1.141	43%	0.429	S	S	*	.			trans	-72.4	0	161.4	-76.4	-81.2	0	0	0	109.9	V468	V468-Y470 PolarHBondContact O-N 3.48Å

Retrieved 470 of 470 residues in 1068.8 ms (Link to these results)

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